N-(4-chlorophenyl)-3-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]butanamide

Systemtic Name: N-(4-chlorophenyl)-3-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]butanamide Openeye Name: N-(4-chlorophenyl)-3-[[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]amino]butanamide CAS Name: N-(4-chlorophenyl)-3-[[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]amino]butanamide IUPAC Name: N-(4-chlorophenyl)-3-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]butanamide Traditional Name: N-(4-chlorophenyl)-3-[[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amino]butyramide Formula: C21H29ClN4OS MolecularWeight: 420.99916

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)Cl)NCC(C2=CC=CS2)N3CCN(CC3)C

Isomeric SMILES

CC(CC(=O)NC1=CC=C(C=C1)Cl)NCC(C2=CC=CS2)N3CCN(CC3)C

InChI

InChI=1S/C21H29ClN4OS/c1-16(14-21(27)24-18-7-5-17(22)6-8-18)23-15-19(20-4-3-13-28-20)26-11-9-25(2)10-12-26/h3-8,13,16,19,23H,9-12,14-15H2,1-2H3,(H,24,27)