1,3-bis[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]urea

Systemtic Name: 1,3-bis[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]urea Openeye Name: 1,3-bis[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]urea CAS Name: 1,3-bis[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]urea IUPAC Name: 1,3-bis[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]urea Traditional Name: 1,3-bis[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]urea Formula: C27H18N4O3S2 MolecularWeight: 510.58682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=O)NC4=CC(=O)C(=C5NC6=CC=CC=C6S5)C=C4)S2

Isomeric SMILES

C1=CC=C2S/C(=C\3/C(=O)C=C(C=C3)NC(=O)NC4=CC(=O)/C(=C\5/SC6=CC=CC=C6N5)/C=C4)/NC2=C1

InChI

InChI=1S/C27H18N4O3S2/c32-21-13-15(9-11-17(21)25-30-19-5-1-3-7-23(19)35-25)28-27(34)29-16-10-12-18(22(33)14-16)26-31-20-6-2-4-8-24(20)36-26/h1-14,30-31H,(H2,28,29,34)/b25-17+,26-18+