N-[[(4E)-3-oxidanylidene-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[(4E)-3-oxidanylidene-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[(4E)-4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[(4E)-3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[(4E)-3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[(4E)-4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CS4)N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)O/C(=C/3\C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CS4)/N2

InChI

InChI=1S/C22H19N3O3S2/c1-12(2)13-5-8-18-16(10-13)24-21(28-18)15-7-6-14(11-17(15)26)23-22(29)25-20(27)19-4-3-9-30-19/h3-12,24H,1-2H3,(H2,23,25,27,29)/b21-15+