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

Systemtic Name: N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]propanamide Openeye Name: N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]propanamide CAS Name: N-[[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]propanamide Traditional Name: N-[[(4E)-3-keto-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]propionamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-3-16(23)21-18(25)19-11-5-6-12(14(22)9-11)17-20-13-7-4-10(2)8-15(13)24-17/h4-9,20H,3H2,1-2H3,(H2,19,21,23,25)/b17-12+