7-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylanilino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C)C

InChI

InChI=1S/C25H29N5O2S/c1-4-10-30-24(32)20-8-6-18(16-22(20)27-25(30)33)23(31)26-21-9-7-19(15-17(21)3)29-13-11-28(5-2)12-14-29/h4,6-9,15-16,32H,1,5,10-14H2,2-3H3,(H,26,31)