N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)N4CCCCC4

InChI

InChI=1S/C26H30N4O3S/c1-3-13-30-25(32)21-12-9-19(16-22(21)28-26(30)34)24(31)27-17-23(29-14-5-4-6-15-29)18-7-10-20(33-2)11-8-18/h3,7-12,16,23H,1,4-6,13-15,17H2,2H3,(H,27,31)(H,28,34)