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

Systemtic Name: N-(furan-2-ylmethyl)-4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Openeye Name: N-(2-furylmethyl)-4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide CAS Name: N-(2-furanylmethyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Traditional Name: N-(2-furfuryl)-4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)butyramide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)NCC4=CC=CO4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C20H20N4O4S/c1-27-12-6-7-15-14(10-12)17-18(22-15)19(26)24(20(29)23-17)8-2-5-16(25)21-11-13-4-3-9-28-13/h3-4,6-7,9-10,22H,2,5,8,11H2,1H3,(H,21,25)(H,23,29)