2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4=CC=CC=C4

InChI

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