N-[(4-fluorophenyl)methyl]-5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide Openeye Name: N-[(4-fluorophenyl)methyl]-5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide CAS Name: N-[(4-fluorophenyl)methyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide Traditional Name: N-(4-fluorobenzyl)-5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)valeramide Formula: C23H23FN4O3S MolecularWeight: 454.517123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O3S/c1-31-16-9-10-18-17(12-16)20-21(26-18)22(30)28(23(32)27-20)11-3-2-4-19(29)25-13-14-5-7-15(24)8-6-14/h5-10,12,26H,2-4,11,13H2,1H3,(H,25,29)(H,27,32)