N-[(3,4-dichlorophenyl)methyl]-3-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-3-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-3-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-3-[(4-mercapto-2-pyrrolidinyl)methylamino]benzamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-3-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzamide Traditional Name: N-(3,4-dichlorobenzyl)-3-[(4-mercaptopyrrolidin-2-yl)methylamino]benzamide Formula: C19H21Cl2N3OS MolecularWeight: 410.36054

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1CNC2=CC=CC(=C2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)S

Isomeric SMILES

C1C(CNC1CNC2=CC=CC(=C2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)S

InChI

InChI=1S/C19H21Cl2N3OS/c20-17-5-4-12(6-18(17)21)9-24-19(25)13-2-1-3-14(7-13)22-10-15-8-16(26)11-23-15/h1-7,15-16,22-23,26H,8-11H2,(H,24,25)