methyl N-(1-butanoyl-5-propylsulfanyl-benzimidazol-2-yl)carbamate

Systemtic Name: methyl N-(1-butanoyl-5-propylsulfanyl-benzimidazol-2-yl)carbamate Openeye Name: methyl N-(1-butanoyl-5-propylsulfanyl-benzimidazol-2-yl)carbamate CAS Name: N-[1-(1-oxobutyl)-5-(propylthio)-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-(1-butanoyl-5-propylsulfanylbenzimidazol-2-yl)carbamate Traditional Name: N-[1-butyryl-5-(propylthio)benzimidazol-2-yl]carbamic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C2=C(C=C(C=C2)SCCC)N=C1NC(=O)OC

Isomeric SMILES

CCCC(=O)N1C2=C(C=C(C=C2)SCCC)N=C1NC(=O)OC

InChI

InChI=1S/C16H21N3O3S/c1-4-6-14(20)19-13-8-7-11(23-9-5-2)10-12(13)17-15(19)18-16(21)22-3/h7-8,10H,4-6,9H2,1-3H3,(H,17,18,21)