diethyl-[2-[7-[(2-methylcyclohexyl)carbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[7-[(2-methylcyclohexyl)carbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[7-[(2-methylcyclohexyl)carbamoyl]-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[7-[[(2-methylcyclohexyl)amino]-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[7-[(2-methylcyclohexyl)carbamoyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[4-keto-7-[(2-methylcyclohexyl)carbamoyl]-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3C)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3C)NC1=S

InChI

InChI=1S/C22H32N4O2S/c1-4-25(5-2)12-13-26-21(28)17-11-10-16(14-19(17)24-22(26)29)20(27)23-18-9-7-6-8-15(18)3/h10-11,14-15,18H,4-9,12-13H2,1-3H3,(H,23,27)(H,24,29)/p+1