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

Systemtic Name: N-[[(4Z)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]propanamide Openeye Name: N-[[(4Z)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]propanamide CAS Name: N-[[[(4Z)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[(4Z)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]propanamide Traditional Name: N-[[(4Z)-4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]propionamide Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-2-15(22)20-17(24)18-10-7-8-11(13(21)9-10)16-19-12-5-3-4-6-14(12)23-16/h3-9,19H,2H2,1H3,(H2,18,20,22,24)/b16-11-