3-(4-methylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(4-methylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(p-tolyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(4-methylphenyl)-1-[3-(4-methyl-1-piperazinyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(4-methylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-(4-methylpiperazino)propyl]-3-(p-tolyl)-1-(2-thenyl)thiourea Formula: C21H30N4S2 MolecularWeight: 402.6197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4S2/c1-18-6-8-19(9-7-18)22-21(26)25(17-20-5-3-16-27-20)11-4-10-24-14-12-23(2)13-15-24/h3,5-9,16H,4,10-15,17H2,1-2H3,(H,22,26)