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

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)ethyl]-1-(2-furylmethyl)-3-(o-tolyl)thiourea CAS Name: 1-[2-(1-azepanyl)ethyl]-1-(2-furanylmethyl)-3-(2-methylphenyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)ethyl]-1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)ethyl]-1-(2-furfuryl)-3-(o-tolyl)thiourea Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3

InChI

InChI=1S/C21H29N3OS/c1-18-9-4-5-11-20(18)22-21(26)24(17-19-10-8-16-25-19)15-14-23-12-6-2-3-7-13-23/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3,(H,22,26)