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

Systemtic Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-methyl-propionamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC(=O)C(=C2NC3=CC=CC=C3O2)C=C1

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC(=O)/C(=C/2\NC3=CC=CC=C3O2)/C=C1

InChI

InChI=1S/C18H17N3O3S/c1-10(2)16(23)21-18(25)19-11-7-8-12(14(22)9-11)17-20-13-5-3-4-6-15(13)24-17/h3-10,20H,1-2H3,(H2,19,21,23,25)/b17-12+