N-(4-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C20H17BrN4O3S MolecularWeight: 473.34298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C20H17BrN4O3S/c1-27-15-7-13-14(8-16(15)28-2)25-19-18(13)22-10-23-20(19)29-9-17(26)24-12-5-3-11(21)4-6-12/h3-8,10,25H,9H2,1-2H3,(H,24,26)