N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-chloranyl-benzamide

Systemtic Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-chloranyl-benzamide Openeye Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-chloro-benzamide CAS Name: N-[[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-chlorobenzamide IUPAC Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-chlorobenzamide Traditional Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-chloro-benzamide Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=CC=C4)Cl)O2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=CC=C4)Cl)O2

InChI

InChI=1S/C21H14ClN3O3S/c22-13-5-3-4-12(10-13)19(27)25-21(29)23-14-8-9-17(26)15(11-14)20-24-16-6-1-2-7-18(16)28-20/h1-11,24H,(H2,23,25,27,29)