N-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-benzamide; 2-phenylsulfanyl-N-thiomorpholin-4-yl-benzamide

Systemtic Name: N-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-benzamide; 2-phenylsulfanyl-N-thiomorpholin-4-yl-benzamide Openeye Name: N-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-benzamide; 2-phenylsulfanyl-N-thiomorpholino-benzamide CAS Name: N-(4-methyl-1-piperazinyl)-2-(phenylthio)benzamide; 2-(phenylthio)-N-thiomorpholin-4-ylbenzamide IUPAC Name: N-(4-methylpiperazin-1-yl)-2-phenylsulfanylbenzamide; 2-phenylsulfanyl-N-thiomorpholin-4-ylbenzamide Traditional Name: N-(4-methylpiperazino)-2-(phenylthio)benzamide; 2-(phenylthio)-N-thiomorpholino-benzamide Formula: C35H39N5O2S3 MolecularWeight: 657.91146

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3.C1CSCCN1NC(=O)C2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3.C1CSCCN1NC(=O)C2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS.C17H18N2OS2/c1-20-11-13-21(14-12-20)19-18(22)16-9-5-6-10-17(16)23-15-7-3-2-4-8-15;20-17(18-19-10-12-21-13-11-19)15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h2-10H,11-14H2,1H3,(H,19,22);1-9H,10-13H2,(H,18,20)