4-chloranyl-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 4-chloro-N-[[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 4-chloro-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=C(C=C4)Cl)N2

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=C(C=C4)Cl)N2

InChI

InChI=1S/C23H18ClN3O3S/c1-12-9-18-20(10-13(12)2)30-22(26-18)17-11-16(7-8-19(17)28)25-23(31)27-21(29)14-3-5-15(24)6-4-14/h3-11,26H,1-2H3,(H2,25,27,29,31)