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

Systemtic Name: 7-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylcarbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methylamino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylcarbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C

InChI

InChI=1S/C26H30N4O2S/c1-3-12-30-25(32)22-9-8-21(15-23(22)28-26(30)33)24(31)27-16-19-4-6-20(7-5-19)17-29-13-10-18(2)11-14-29/h3-9,15,18,32H,1,10-14,16-17H2,2H3,(H,27,31)