3-(5-chloranyl-2-methyl-phenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-[3-(4-methyl-1-piperazinyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-[3-(4-methylpiperazino)propyl]-1-(2-thenyl)thiourea Formula: C21H29ClN4S2 MolecularWeight: 437.06476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3

InChI

InChI=1S/C21H29ClN4S2/c1-17-6-7-18(22)15-20(17)23-21(27)26(16-19-5-3-14-28-19)9-4-8-25-12-10-24(2)11-13-25/h3,5-7,14-15H,4,8-13,16H2,1-2H3,(H,23,27)