N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)phenyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(4-ethylpiperazino)phenyl]-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCOC

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCOC

InChI

InChI=1S/C25H31N5O3S/c1-3-28-12-14-29(15-13-28)22-8-5-4-7-20(22)26-23(31)18-9-10-19-21(17-18)27-25(34)30(24(19)32)11-6-16-33-2/h4-5,7-10,17H,3,6,11-16H2,1-2H3,(H,26,31)(H,27,34)