N-(2-azanyl-2-oxidanylidene-ethyl)-3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-3-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoylamino]benzamide CAS Name: N-(2-amino-2-oxoethyl)-3-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-3-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoylamino]benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-3-[2-[[2-keto-2-(p-toluidino)ethyl]thio]propanoylamino]benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)N

InChI

InChI=1S/C21H24N4O4S/c1-13-6-8-16(9-7-13)24-19(27)12-30-14(2)20(28)25-17-5-3-4-15(10-17)21(29)23-11-18(22)26/h3-10,14H,11-12H2,1-2H3,(H2,22,26)(H,23,29)(H,24,27)(H,25,28)