N-(3,5-dimethoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C21H20N4O3S/c1-12-4-5-17-16(6-12)19-20(25-17)21(23-11-22-19)29-10-18(26)24-13-7-14(27-2)9-15(8-13)28-3/h4-9,11,25H,10H2,1-3H3,(H,24,26)