N-[(3Z)-3-[6-(1-adamantylcarbonylamino)-3H-1,3-benzothiazol-2-ylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]adamantane-1-carboxamide

Systemtic Name: N-[(3Z)-3-[6-(1-adamantylcarbonylamino)-3H-1,3-benzothiazol-2-ylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]adamantane-1-carboxamide Openeye Name: N-[(3Z)-3-[6-(adamantane-1-carbonylamino)-3H-1,3-benzothiazol-2-ylidene]-4-oxo-cyclohexa-1,5-dien-1-yl]adamantane-1-carboxamide CAS Name: N-[(3Z)-3-[6-[[1-adamantyl(oxo)methyl]amino]-3H-1,3-benzothiazol-2-ylidene]-4-oxo-1-cyclohexa-1,5-dienyl]-1-adamantanecarboxamide IUPAC Name: N-[(3Z)-3-[6-(adamantane-1-carbonylamino)-3H-1,3-benzothiazol-2-ylidene]-4-oxocyclohexa-1,5-dien-1-yl]adamantane-1-carboxamide Traditional Name: N-[(3Z)-3-[6-(adamantane-1-carbonylamino)-3H-1,3-benzothiazol-2-ylidene]-4-keto-cyclohexa-1,5-dien-1-yl]adamantane-1-carboxamide Formula: C35H39N3O3S MolecularWeight: 581.76746

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=C5NC6=C(S5)C=C(C=C6)NC(=O)C78CC9CC(C7)CC(C9)C8)C(=O)C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C/C(=C/5\NC6=C(S5)C=C(C=C6)NC(=O)C78CC9CC(C7)CC(C9)C8)/C(=O)C=C4

InChI

InChI=1S/C35H39N3O3S/c39-29-4-2-25(36-32(40)34-13-19-5-20(14-34)7-21(6-19)15-34)11-27(29)31-38-28-3-1-26(12-30(28)42-31)37-33(41)35-16-22-8-23(17-35)10-24(9-22)18-35/h1-4,11-12,19-24,38H,5-10,13-18H2,(H,36,40)(H,37,41)/b31-27-