4-(2-methylsulfanylphenyl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2-methylsulfanylphenyl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide Openeye Name: 4-(2-methylsulfanylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide CAS Name: 4-[2-(methylthio)phenyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-piperazinecarboxamide IUPAC Name: 4-(2-methylsulfanylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide Traditional Name: N-(3-keto-4H-1,4-benzoxazin-6-yl)-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C20H22N4O3S/c1-28-18-5-3-2-4-16(18)23-8-10-24(11-9-23)20(26)21-14-6-7-17-15(12-14)22-19(25)13-27-17/h2-7,12H,8-11,13H2,1H3,(H,21,26)(H,22,25)