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

Systemtic Name: N-[[(4E)-4-(5-butan-2-yl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: 3,5-dimethyl-N-[[(4E)-3-oxo-4-(5-sec-butyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: N-[[[(4E)-4-(5-butan-2-yl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[(4E)-4-(5-butan-2-yl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[(4E)-3-keto-4-(5-sec-butyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)O/C(=C/3\C=CC(=CC3=O)NC(=S)NC(=O)C4=CC(=CC(=C4)C)C)/N2

InChI

InChI=1S/C27H27N3O3S/c1-5-17(4)18-6-9-24-22(13-18)29-26(33-24)21-8-7-20(14-23(21)31)28-27(34)30-25(32)19-11-15(2)10-16(3)12-19/h6-14,17,29H,5H2,1-4H3,(H2,28,30,32,34)/b26-21+