[azanyl-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]methylidene]-[(4-chlorophenyl)carbamothioyl]azanium

Systemtic Name: [azanyl-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]methylidene]-[(4-chlorophenyl)carbamothioyl]azanium Openeye Name: [amino-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]methylene]-[(4-chlorophenyl)carbamothioyl]ammonium CAS Name: [amino-[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-[(4-chloroanilino)-sulfanylidenemethyl]ammonium IUPAC Name: [amino-[(6-methoxy-4-methylquinazolin-2-yl)amino]methylidene]-[(4-chlorophenyl)carbamothioyl]azanium Traditional Name: [amino-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]methylene]-[(4-chlorophenyl)thiocarbamoyl]ammonium Formula: C18H18ClN6OS+ MolecularWeight: 401.89312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)OC)NC(=[NH+]C(=S)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)OC)NC(=[NH+]C(=S)NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H17ClN6OS/c1-10-14-9-13(26-2)7-8-15(14)23-17(21-10)24-16(20)25-18(27)22-12-5-3-11(19)4-6-12/h3-9H,1-2H3,(H4,20,21,22,23,24,25,27)/p+1