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

Systemtic Name: N-cycloheptyl-3-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)propanamide Openeye Name: N-cycloheptyl-3-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)propanamide CAS Name: N-cycloheptyl-3-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)propanamide IUPAC Name: N-cycloheptyl-3-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)propanamide Traditional Name: N-cycloheptyl-3-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCC(=O)NC4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCC(=O)NC4CCCCCC4

InChI

InChI=1S/C21H26N4O3S/c1-28-14-8-9-16-15(12-14)18-19(23-16)20(27)25(21(29)24-18)11-10-17(26)22-13-6-4-2-3-5-7-13/h8-9,12-13,23H,2-7,10-11H2,1H3,(H,22,26)(H,24,29)