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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-m-anisyl-2-[(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NCC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NCC4=CC(=CC=C4)OC

InChI

InChI=1S/C21H20N4O2S/c1-13-6-7-17-16(8-13)19-20(25-17)21(24-12-23-19)28-11-18(26)22-10-14-4-3-5-15(9-14)27-2/h3-9,12,25H,10-11H2,1-2H3,(H,22,26)