1-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexan-1-one

Systemtic Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexan-1-one Openeye Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexan-1-one CAS Name: 1-[4-(3-methoxyphenyl)-1-piperazinyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1-hexanone IUPAC Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexan-1-one Traditional Name: 1-[4-(3-methoxyphenyl)piperazino]-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexan-1-one Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCCCCNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCCCCNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C25H31N5O2S/c1-32-20-9-7-8-19(18-20)29-14-16-30(17-15-29)23(31)12-3-2-6-13-26-24-21-10-4-5-11-22(21)27-25(33)28-24/h4-5,7-11,18H,2-3,6,12-17H2,1H3,(H2,26,27,28,33)