3-(3-chloranyl-4-methyl-phenyl)-1-(3-piperidin-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-(3-piperidin-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[3-(1-piperidyl)propyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-[3-(1-piperidinyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-(3-piperidin-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-(3-piperidinopropyl)-1-(2-thenyl)thiourea Formula: C21H28ClN3S2 MolecularWeight: 422.05012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCCCC2)CC3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCCCC2)CC3=CC=CS3)Cl

InChI

InChI=1S/C21H28ClN3S2/c1-17-8-9-18(15-20(17)22)23-21(26)25(16-19-7-5-14-27-19)13-6-12-24-10-3-2-4-11-24/h5,7-9,14-15H,2-4,6,10-13,16H2,1H3,(H,23,26)