[4-(2-azanyl-3-sulfanyl-propyl)-3-butyl-piperazin-1-yl]-(2,3-dimethylphenyl)methanone

Systemtic Name: [4-(2-azanyl-3-sulfanyl-propyl)-3-butyl-piperazin-1-yl]-(2,3-dimethylphenyl)methanone Openeye Name: [4-(2-amino-3-sulfanyl-propyl)-3-butyl-piperazin-1-yl]-(2,3-dimethylphenyl)methanone CAS Name: [4-(2-amino-3-mercaptopropyl)-3-butyl-1-piperazinyl]-(2,3-dimethylphenyl)methanone IUPAC Name: [4-(2-amino-3-sulfanylpropyl)-3-butylpiperazin-1-yl]-(2,3-dimethylphenyl)methanone Traditional Name: [4-(2-amino-3-mercapto-propyl)-3-butyl-piperazino]-(2,3-dimethylphenyl)methanone Formula: C20H33N3OS MolecularWeight: 363.56052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC(CS)N)C(=O)C2=C(C(=CC=C2)C)C

Isomeric SMILES

CCCCC1CN(CCN1CC(CS)N)C(=O)C2=C(C(=CC=C2)C)C

InChI

InChI=1S/C20H33N3OS/c1-4-5-8-18-13-23(11-10-22(18)12-17(21)14-25)20(24)19-9-6-7-15(2)16(19)3/h6-7,9,17-18,25H,4-5,8,10-14,21H2,1-3H3