N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Openeye Name: N-[3-methylsulfanyl-1-[4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbonyl]propyl]benzamide CAS Name: N-[4-(methylthio)-1-oxo-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Traditional Name: N-[3-(methylthio)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbonyl]propyl]benzamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCN(CC1)CC2=NC=CS2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1CCCN(CC1)CC2=NC=CS2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S2/c1-28-14-8-18(23-20(26)17-6-3-2-4-7-17)21(27)25-11-5-10-24(12-13-25)16-19-22-9-15-29-19/h2-4,6-7,9,15,18H,5,8,10-14,16H2,1H3,(H,23,26)