N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-ethoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-3-(3-ethoxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H34ClN5O3S MolecularWeight: 544.10856

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)NC1=S

InChI

InChI=1S/C27H34ClN5O3S/c1-2-36-17-5-12-33-26(35)23-9-8-20(18-24(23)30-27(33)37)25(34)29-10-4-11-31-13-15-32(16-14-31)22-7-3-6-21(28)19-22/h3,6-9,18-19H,2,4-5,10-17H2,1H3,(H,29,34)(H,30,37)