4-[2-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[4-(3-methylanilino)-4-oxo-butyl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[4-(3-methylanilino)-4-oxobutyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[4-(3-methylanilino)-4-oxobutyl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[4-keto-4-(m-toluidino)butyl]thio]acetyl]amino]benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-14-4-2-5-17(12-14)23-18(24)6-3-11-27-13-19(25)22-16-9-7-15(8-10-16)20(21)26/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H2,21,26)(H,22,25)(H,23,24)