[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 2-(N-benzyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-benzyl-N-methyl-N'-phenyl-amidino)thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C24H24N4O3S/c1-18-15-21(28(30)31)13-14-22(18)26-23(29)17-32-24(25-20-11-7-4-8-12-20)27(2)16-19-9-5-3-6-10-19/h3-15H,16-17H2,1-2H3,(H,26,29)