2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-keto-3-phenyl-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-phenethyl-acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

InChI

InChI=1S/C26H22N4O2S/c31-22(27-16-15-18-9-3-1-4-10-18)17-33-26-29-23-20-13-7-8-14-21(20)28-24(23)25(32)30(26)19-11-5-2-6-12-19/h1-14,28H,15-17H2,(H,27,31)