N-(prop-2-enylcarbamoyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(prop-2-enylcarbamoyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(allylcarbamoyl)-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-[oxo-(prop-2-enylamino)methyl]-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(prop-2-enylcarbamoyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(allylcarbamoyl)-2-[4-(2-thenyl)-1,4-diazepan-1-yl]acetamide Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CN1CCCN(CC1)CC2=CC=CS2

Isomeric SMILES

C=CCNC(=O)NC(=O)CN1CCCN(CC1)CC2=CC=CS2

InChI

InChI=1S/C16H24N4O2S/c1-2-6-17-16(22)18-15(21)13-20-8-4-7-19(9-10-20)12-14-5-3-11-23-14/h2-3,5,11H,1,4,6-10,12-13H2,(H2,17,18,21,22)