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

Systemtic Name: 2-methoxy-3-methyl-N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 2-methoxy-3-methyl-N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 2-methoxy-3-methyl-N-[[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-3-methyl-N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: N-[[(4E)-3-keto-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=C(C(=CC=C4)C)OC)O2

Isomeric SMILES

CC1=CC2=C(C=C1)N/C(=C\3/C=CC(=CC3=O)NC(=S)NC(=O)C4=C(C(=CC=C4)C)OC)/O2

InChI

InChI=1S/C24H21N3O4S/c1-13-7-10-18-20(11-13)31-23(26-18)16-9-8-15(12-19(16)28)25-24(32)27-22(29)17-6-4-5-14(2)21(17)30-3/h4-12,26H,1-3H3,(H2,25,27,29,32)/b23-16+