3-(2-phenylethenylsulfanyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(2-phenylethenylsulfanyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-styrylsulfanyl-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(2-phenylethenylthio)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(2-phenylethenylsulfanyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(styrylthio)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]propan-1-one Formula: C21H26N2OS2 MolecularWeight: 386.57394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC3=CSC=C3

InChI

InChI=1S/C21H26N2OS2/c24-21(9-16-25-14-7-19-5-2-1-3-6-19)23-11-4-10-22(12-13-23)17-20-8-15-26-18-20/h1-3,5-8,14-15,18H,4,9-13,16-17H2