4-[[2-(4-chlorophenyl)sulfanylpropanoyl-methyl-amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[2-(4-chlorophenyl)sulfanylpropanoyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[2-(4-chlorophenyl)sulfanylpropanoyl-methyl-amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[2-[(4-chlorophenyl)thio]-1-oxopropyl]-methylamino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[2-(4-chlorophenyl)sulfanylpropanoyl-methylamino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[2-[(4-chlorophenyl)thio]propanoyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=C(C=C1)C(=O)NC2CC2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=C(C=C1)C(=O)NC2CC2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-14(27-19-11-7-17(22)8-12-19)21(26)24(2)13-15-3-5-16(6-4-15)20(25)23-18-9-10-18/h3-8,11-12,14,18H,9-10,13H2,1-2H3,(H,23,25)