butyl 4-(1H-benzimidazol-2-ylcarbothioylamino)benzoate

Systemtic Name: butyl 4-(1H-benzimidazol-2-ylcarbothioylamino)benzoate Openeye Name: butyl 4-(1H-benzimidazole-2-carbothioylamino)benzoate CAS Name: 4-[[1H-benzimidazol-2-yl(sulfanylidene)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(1H-benzimidazole-2-carbothioylamino)benzoate Traditional Name: 4-(1H-benzimidazole-2-carbothioylamino)benzoic acid butyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H19N3O2S/c1-2-3-12-24-19(23)13-8-10-14(11-9-13)20-18(25)17-21-15-6-4-5-7-16(15)22-17/h4-11H,2-3,12H2,1H3,(H,20,25)(H,21,22)