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

Systemtic Name: N-[[4-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-[(3-benzyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide CAS Name: N-[[4-[[5-nitro-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-[(3-benzyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide Traditional Name: N-[[4-[(3-benzyl-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiocarbamoyl]acetamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H20N4O4S/c1-15(28)25-23(32)26-20-9-7-19(8-10-20)24-14-18-12-17(11-16-5-3-2-4-6-16)13-21(22(18)29)27(30)31/h2-10,12-14,24H,11H2,1H3,(H2,25,26,28,32)