1-[3-[butyl(methyl)amino]propyl]-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[3-[butyl(methyl)amino]propyl]-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-[butyl(methyl)amino]propyl]-3-(m-tolyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[3-[butyl(methyl)amino]propyl]-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[3-[butyl(methyl)amino]propyl]-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-[butyl(methyl)amino]propyl]-3-(m-tolyl)-1-(2-thenyl)thiourea Formula: C21H31N3S2 MolecularWeight: 389.62094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCN(CC1=CC=CS1)C(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCCN(C)CCCN(CC1=CC=CS1)C(=S)NC2=CC=CC(=C2)C

InChI

InChI=1S/C21H31N3S2/c1-4-5-12-23(3)13-8-14-24(17-20-11-7-15-26-20)21(25)22-19-10-6-9-18(2)16-19/h6-7,9-11,15-16H,4-5,8,12-14,17H2,1-3H3,(H,22,25)