methyl N-[1-butanoyl-5-[4-(butanoylamino)phenyl]sulfanyl-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[1-butanoyl-5-[4-(butanoylamino)phenyl]sulfanyl-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[1-butanoyl-5-[4-(butanoylamino)phenyl]sulfanyl-benzimidazol-2-yl]carbamate CAS Name: N-[1-(1-oxobutyl)-5-[[4-(1-oxobutylamino)phenyl]thio]-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-butanoyl-5-[4-(butanoylamino)phenyl]sulfanylbenzimidazol-2-yl]carbamate Traditional Name: N-[5-[(4-butyramidophenyl)thio]-1-butyryl-benzimidazol-2-yl]carbamic acid methyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N(C(=N3)NC(=O)OC)C(=O)CCC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N(C(=N3)NC(=O)OC)C(=O)CCC

InChI

InChI=1S/C23H26N4O4S/c1-4-6-20(28)24-15-8-10-16(11-9-15)32-17-12-13-19-18(14-17)25-22(26-23(30)31-3)27(19)21(29)7-5-2/h8-14H,4-7H2,1-3H3,(H,24,28)(H,25,26,30)