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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-pyrrolidinosulfonylbenzoyl)amino]thiourea Formula: C19H28N4O3S2 MolecularWeight: 424.58062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3S2/c1-14-7-2-3-10-17(14)20-19(27)22-21-18(24)15-8-6-9-16(13-15)28(25,26)23-11-4-5-12-23/h6,8-9,13-14,17H,2-5,7,10-12H2,1H3,(H,21,24)(H2,20,22,27)/t14-,17-/m0/s1