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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[4-(2-oxo-1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea Traditional Name: 1-[4-(2-ketopyrrolidino)phenyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3OS/c1-13-5-2-3-6-16(13)20-18(23)19-14-8-10-15(11-9-14)21-12-4-7-17(21)22/h8-11,13,16H,2-7,12H2,1H3,(H2,19,20,23)/t13-,16-/m0/s1