N-(4-cyano-1-propyl-piperidin-4-yl)-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(4-cyano-1-propyl-piperidin-4-yl)-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(4-cyano-1-propyl-4-piperidyl)-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide CAS Name: N-(4-cyano-1-propyl-4-piperidinyl)-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(4-cyano-1-propylpiperidin-4-yl)-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide Traditional Name: 3-(benzylthio)-N-(4-cyano-1-propyl-4-piperidyl)-2-[(2-keto-1,3-benzoxazin-4-yl)amino]propionamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)(C#N)NC(=O)C(CSCC2=CC=CC=C2)NC3=NC(=O)OC4=CC=CC=C43

Isomeric SMILES

CCCN1CCC(CC1)(C#N)NC(=O)C(CSCC2=CC=CC=C2)NC3=NC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C27H31N5O3S/c1-2-14-32-15-12-27(19-28,13-16-32)31-25(33)22(18-36-17-20-8-4-3-5-9-20)29-24-21-10-6-7-11-23(21)35-26(34)30-24/h3-11,22H,2,12-18H2,1H3,(H,31,33)(H,29,30,34)