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

Systemtic Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)thio]-N-(4-ethylphenyl)acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C22H22N4O3S/c1-4-13-5-7-14(8-6-13)25-19(27)11-30-22-21-20(23-12-24-22)15-9-17(28-2)18(29-3)10-16(15)26-21/h5-10,12,26H,4,11H2,1-3H3,(H,25,27)