3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[3-(2-methyl-1-benzimidazolyl)propyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[3-(2-methylbenzimidazol-1-yl)propyl]propionamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCCNC(=O)CCSCC(=O)N

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCCNC(=O)CCSCC(=O)N

InChI

InChI=1S/C16H22N4O2S/c1-12-19-13-5-2-3-6-14(13)20(12)9-4-8-18-16(22)7-10-23-11-15(17)21/h2-3,5-6H,4,7-11H2,1H3,(H2,17,21)(H,18,22)