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

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Openeye Name: N-[3-methylsulfanyl-1-[4-(3-thienylmethyl)-1,4-diazepane-1-carbonyl]propyl]benzamide CAS Name: N-[4-(methylthio)-1-oxo-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Traditional Name: N-[3-(methylthio)-1-[4-(3-thenyl)-1,4-diazepane-1-carbonyl]propyl]benzamide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCN(CC1)CC2=CSC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1CCCN(CC1)CC2=CSC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2S2/c1-28-14-9-20(23-21(26)19-6-3-2-4-7-19)22(27)25-11-5-10-24(12-13-25)16-18-8-15-29-17-18/h2-4,6-8,15,17,20H,5,9-14,16H2,1H3,(H,23,26)