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

Systemtic Name: N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-oxidanyl-4-phenyl-piperidin-1-yl)butyl]-3-isothiocyanato-N-methyl-benzamide Openeye Name: N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenyl-1-piperidyl)butyl]-3-isothiocyanato-N-methyl-benzamide CAS Name: N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenyl-1-piperidinyl)butyl]-3-isothiocyanato-N-methylbenzamide IUPAC Name: N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-3-isothiocyanato-N-methylbenzamide Traditional Name: N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenyl-piperidino)butyl]-3-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=C4)N=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=C4)N=C=S

InChI

InChI=1S/C30H31Cl2N3O2S/c1-34(29(36)23-6-5-9-26(18-23)33-21-38)20-24(22-10-11-27(31)28(32)19-22)12-15-35-16-13-30(37,14-17-35)25-7-3-2-4-8-25/h2-11,18-19,24,37H,12-17,20H2,1H3/t24-/m0/s1