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

Systemtic Name: N-[[(4E)-4-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[(4E)-4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[(4E)-4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[(4E)-4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[(4E)-4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-methyl-butyramide Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC(=O)C(=C2NC3=C(O2)C=CC(=C3)Cl)C=C1

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC(=O)/C(=C/2\NC3=C(O2)C=CC(=C3)Cl)/C=C1

InChI

InChI=1S/C19H18ClN3O3S/c1-10(2)7-17(25)23-19(27)21-12-4-5-13(15(24)9-12)18-22-14-8-11(20)3-6-16(14)26-18/h3-6,8-10,22H,7H2,1-2H3,(H2,21,23,25,27)/b18-13+