1-(3-methylphenyl)-3-[1-(2-oxidanyl-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(3-methylphenyl)-3-[1-(2-oxidanyl-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-[1-(2-hydroxy-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(m-tolyl)thiourea CAS Name: 1-[1-[2-hydroxy-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[1-(2-hydroxy-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[1-(2-hydroxy-2-pyrrolidino-ethyl)azepan-3-yl]-3-(m-tolyl)thiourea Formula: C20H32N4OS MolecularWeight: 376.55928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2CCCCN(C2)CC(N3CCCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC2CCCCN(C2)CC(N3CCCC3)O

InChI

InChI=1S/C20H32N4OS/c1-16-7-6-9-17(13-16)21-20(26)22-18-8-2-3-10-23(14-18)15-19(25)24-11-4-5-12-24/h6-7,9,13,18-19,25H,2-5,8,10-12,14-15H2,1H3,(H2,21,22,26)