3-(4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)propanamide Traditional Name: N-benzyl-3-(4-keto-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)propionamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=C(C4=CC=CC=C4N3)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=C(C4=CC=CC=C4N3)NC2=S

InChI

InChI=1S/C20H18N4O2S/c25-16(21-12-13-6-2-1-3-7-13)10-11-24-19(26)18-17(23-20(24)27)14-8-4-5-9-15(14)22-18/h1-9,22H,10-12H2,(H,21,25)(H,23,27)