N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-methyl-piperazine-1-carbothioamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-methyl-piperazine-1-carbothioamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-methyl-piperazine-1-carbothioamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-methyl-1-piperazinecarbothioamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-methylpiperazine-1-carbothioamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-methyl-piperazine-1-carbothioamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N4O2S2/c1-23-12-14-24(15-13-23)21(28)22-19-6-8-20(9-7-19)29(26,27)25-11-10-17-4-2-3-5-18(17)16-25/h2-9H,10-16H2,1H3,(H,22,28)