tert-butyl N-[1-(butylcarbamoyl)-2-sulfanylidene-3H-benzimidazol-5-yl]carbamate

Systemtic Name: tert-butyl N-[1-(butylcarbamoyl)-2-sulfanylidene-3H-benzimidazol-5-yl]carbamate Openeye Name: tert-butyl N-[1-(butylcarbamoyl)-2-thioxo-3H-benzimidazol-5-yl]carbamate CAS Name: N-[1-[butylamino(oxo)methyl]-2-sulfanylidene-3H-benzimidazol-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(butylcarbamoyl)-2-sulfanylidene-3H-benzimidazol-5-yl]carbamate Traditional Name: N-[1-(butylcarbamoyl)-2-thioxo-3H-benzimidazol-5-yl]carbamic acid tert-butyl ester Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C2=C(C=C(C=C2)NC(=O)OC(C)(C)C)NC1=S

Isomeric SMILES

CCCCNC(=O)N1C2=C(C=C(C=C2)NC(=O)OC(C)(C)C)NC1=S

InChI

InChI=1S/C17H24N4O3S/c1-5-6-9-18-14(22)21-13-8-7-11(10-12(13)20-15(21)25)19-16(23)24-17(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,18,22)(H,19,23)(H,20,25)