N-[4-methylsulfanyl-1-oxidanylidene-1-[(5-piperidin-1-ylisoquinolin-8-yl)amino]butan-2-yl]benzamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-[(5-piperidin-1-ylisoquinolin-8-yl)amino]butan-2-yl]benzamide Openeye Name: N-[3-methylsulfanyl-1-[[5-(1-piperidyl)-8-isoquinolyl]carbamoyl]propyl]benzamide CAS Name: N-[4-(methylthio)-1-oxo-1-[[5-(1-piperidinyl)-8-isoquinolinyl]amino]butan-2-yl]benzamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-[(5-piperidin-1-ylisoquinolin-8-yl)amino]butan-2-yl]benzamide Traditional Name: N-[3-(methylthio)-1-[(5-piperidino-8-isoquinolyl)carbamoyl]propyl]benzamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2S/c1-33-17-13-23(29-25(31)19-8-4-2-5-9-19)26(32)28-22-10-11-24(30-15-6-3-7-16-30)20-12-14-27-18-21(20)22/h2,4-5,8-12,14,18,23H,3,6-7,13,15-17H2,1H3,(H,28,32)(H,29,31)