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

Systemtic Name: 1-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(3-methylphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(m-tolyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(m-tolyl)urea Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C20H27N3OS/c1-16-7-6-8-18(13-16)22-20(24)21-14-19(17-9-12-25-15-17)23-10-4-2-3-5-11-23/h6-9,12-13,15,19H,2-5,10-11,14H2,1H3,(H2,21,22,24)