2-[(3-chloranyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(3-chloranyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]-1-(3-methyl-1-piperidyl)ethanone CAS Name: 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]-1-(3-methylpiperidino)ethanone Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=C3CCCCC3=C4C=CC(=CC4=N2)Cl

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=C3CCCCC3=C4C=CC(=CC4=N2)Cl

InChI

InChI=1S/C21H25ClN2OS/c1-14-5-4-10-24(12-14)20(25)13-26-21-18-7-3-2-6-16(18)17-9-8-15(22)11-19(17)23-21/h8-9,11,14H,2-7,10,12-13H2,1H3