1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[4-(pyrrolidinomethyl)benzyl]thiourea Formula: C20H31N3S MolecularWeight: 345.54524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NCC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NCC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C20H31N3S/c1-16-6-2-3-7-19(16)22-20(24)21-14-17-8-10-18(11-9-17)15-23-12-4-5-13-23/h8-11,16,19H,2-7,12-15H2,1H3,(H2,21,22,24)/t16-,19-/m0/s1