N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-oxidanyl-4-phenyl-piperidin-1-yl)butyl]-2-isothiocyanato-N-methyl-benzamide

Systemtic Name: N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-oxidanyl-4-phenyl-piperidin-1-yl)butyl]-2-isothiocyanato-N-methyl-benzamide Openeye Name: N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenyl-1-piperidyl)butyl]-2-isothiocyanato-N-methyl-benzamide CAS Name: N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenyl-1-piperidinyl)butyl]-2-isothiocyanato-N-methylbenzamide IUPAC Name: N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-2-isothiocyanato-N-methylbenzamide Traditional Name: N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenyl-piperidino)butyl]-2-isothiocyanato-N-methyl-benzamide Formula: C30H31Cl2N3O2S MolecularWeight: 568.55704

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)(C2=CC=CC=C2)O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=CC=C4N=C=S

Isomeric SMILES

CN(C[C@H](CCN1CCC(CC1)(C2=CC=CC=C2)O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=CC=C4N=C=S

InChI

InChI=1S/C30H31Cl2N3O2S/c1-34(29(36)25-9-5-6-10-28(25)33-21-38)20-23(22-11-12-26(31)27(32)19-22)13-16-35-17-14-30(37,15-18-35)24-7-3-2-4-8-24/h2-12,19,23,37H,13-18,20H2,1H3/t23-/m0/s1