1-[(1S,2S)-2-methylcyclohexyl]-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(S)-phenyl(4-pyridyl)methyl]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(S)-phenyl(4-pyridyl)methyl]thiourea Formula: C20H25N3S MolecularWeight: 339.4976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC(C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N[C@@H](C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H25N3S/c1-15-7-5-6-10-18(15)22-20(24)23-19(16-8-3-2-4-9-16)17-11-13-21-14-12-17/h2-4,8-9,11-15,18-19H,5-7,10H2,1H3,(H2,22,23,24)/t15-,18-,19-/m0/s1