N-[5-(1H-benzimidazol-2-yl)-1-methyl-pyrrol-3-yl]butanethioamide

Systemtic Name: N-[5-(1H-benzimidazol-2-yl)-1-methyl-pyrrol-3-yl]butanethioamide Openeye Name: N-[5-(1H-benzimidazol-2-yl)-1-methyl-pyrrol-3-yl]butanethioamide CAS Name: N-[5-(1H-benzimidazol-2-yl)-1-methyl-3-pyrrolyl]butanethioamide IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-1-methylpyrrol-3-yl]butanethioamide Traditional Name: N-[5-(1H-benzimidazol-2-yl)-1-methyl-pyrrol-3-yl]thiobutyramide Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=S)NC1=CN(C(=C1)C2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCCC(=S)NC1=CN(C(=C1)C2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C16H18N4S/c1-3-6-15(21)17-11-9-14(20(2)10-11)16-18-12-7-4-5-8-13(12)19-16/h4-5,7-10H,3,6H2,1-2H3,(H,17,21)(H,18,19)