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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C21H19BrN4O3S MolecularWeight: 487.36956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC)Br

InChI

InChI=1S/C21H19BrN4O3S/c1-11-4-5-14(13(22)6-11)25-18(27)9-30-21-20-19(23-10-24-21)12-7-16(28-2)17(29-3)8-15(12)26-20/h4-8,10,26H,9H2,1-3H3,(H,25,27)