N-[[4-[(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[4-[(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[(3-methyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[(3-methyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[(6-keto-3-methyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiocarbamoyl]propionamide Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N4O4S/c1-3-16(23)21-18(27)20-14-6-4-13(5-7-14)19-10-12-8-11(2)9-15(17(12)24)22(25)26/h4-10,19H,3H2,1-2H3,(H2,20,21,23,27)