[azanyl-[(4-methylquinazolin-2-yl)amino]methylidene]-[(3-methoxyphenyl)carbamothioyl]azanium

Systemtic Name: [azanyl-[(4-methylquinazolin-2-yl)amino]methylidene]-[(3-methoxyphenyl)carbamothioyl]azanium Openeye Name: [amino-[(4-methylquinazolin-2-yl)amino]methylene]-[(3-methoxyphenyl)carbamothioyl]ammonium CAS Name: [amino-[(4-methyl-2-quinazolinyl)amino]methylidene]-[(3-methoxyanilino)-sulfanylidenemethyl]ammonium IUPAC Name: [amino-[(4-methylquinazolin-2-yl)amino]methylidene]-[(3-methoxyphenyl)carbamothioyl]azanium Traditional Name: [amino-[(4-methylquinazolin-2-yl)amino]methylene]-[(3-methoxyphenyl)thiocarbamoyl]ammonium Formula: C18H19N6OS+ MolecularWeight: 367.44806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)NC(=[NH+]C(=S)NC3=CC(=CC=C3)OC)N

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)NC(=[NH+]C(=S)NC3=CC(=CC=C3)OC)N

InChI

InChI=1S/C18H18N6OS/c1-11-14-8-3-4-9-15(14)22-17(20-11)23-16(19)24-18(26)21-12-6-5-7-13(10-12)25-2/h3-10H,1-2H3,(H4,19,20,21,22,23,24,26)/p+1