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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-12-5-7-16-15(8-12)19-20(25-16)21(23-11-22-19)27-10-18(26)24-17-9-13(2)4-6-14(17)3/h4-9,11,25H,10H2,1-3H3,(H,24,26)