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

Systemtic Name: N-[[4-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiocarbamoyl]propionamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-3-16(23)21-18(28)20-13-6-4-12(5-7-13)19-10-11-8-14(22(25)26)9-15(27-2)17(11)24/h4-10,19H,3H2,1-2H3,(H2,20,21,23,28)