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

Systemtic Name: N-[(2S)-butan-2-yl]-4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Openeye Name: 4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(1S)-1-methylpropyl]butanamide CAS Name: N-[(2S)-butan-2-yl]-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide IUPAC Name: N-[(2S)-butan-2-yl]-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Traditional Name: 4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-[(1S)-1-methylpropyl]butyramide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

Isomeric SMILES

CC[C@H](C)NC(=O)CCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

InChI

InChI=1S/C19H24N4O3S/c1-4-11(2)20-15(24)6-5-9-23-18(25)17-16(22-19(23)27)13-10-12(26-3)7-8-14(13)21-17/h7-8,10-11,21H,4-6,9H2,1-3H3,(H,20,24)(H,22,27)/t11-/m0/s1