2-[cyclohexylcarbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[cyclohexylcarbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[cyclohexylcarbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[cyclohexylcarbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[cyclohexylthiocarbamoyl-[(4-keto-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3CCCCC3

Isomeric SMILES

C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3CCCCC3

InChI

InChI=1S/C20H29N5OS/c1-24(2)12-13-25(20(27)21-15-8-4-3-5-9-15)14-18-22-17-11-7-6-10-16(17)19(26)23-18/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H,21,27)(H,22,23,26)/p+1