1-[(1R,2S)-2-methylcyclohexyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-(3-pyrrolidinosulfonylphenyl)thiourea Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O2S2/c1-14-7-2-3-10-17(14)20-18(24)19-15-8-6-9-16(13-15)25(22,23)21-11-4-5-12-21/h6,8-9,13-14,17H,2-5,7,10-12H2,1H3,(H2,19,20,24)/t14-,17+/m0/s1