1-[2-(azepan-1-yl)ethyl]-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)ethyl]-3-(m-tolyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[2-(1-azepanyl)ethyl]-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)ethyl]-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)ethyl]-3-(m-tolyl)-1-(2-thenyl)thiourea Formula: C21H29N3S2 MolecularWeight: 387.60506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3S2/c1-18-8-6-9-19(16-18)22-21(25)24(17-20-10-7-15-26-20)14-13-23-11-4-2-3-5-12-23/h6-10,15-16H,2-5,11-14,17H2,1H3,(H,22,25)