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

Systemtic Name: N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: N-[[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: N-[[3-keto-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC=C4)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC=C4)N2

InChI

InChI=1S/C22H17N3O3S/c1-13-7-10-19-17(11-13)24-21(28-19)16-9-8-15(12-18(16)26)23-22(29)25-20(27)14-5-3-2-4-6-14/h2-12,24H,1H3,(H2,23,25,27,29)