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

Systemtic Name: 3-(2-phenylethenylsulfanyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-styrylsulfanyl-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(2-phenylethenylthio)-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(2-phenylethenylsulfanyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(styrylthio)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Formula: C20H25N3OS2 MolecularWeight: 387.562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC3=NC=CS3

InChI

InChI=1S/C20H25N3OS2/c24-20(8-15-25-14-7-18-5-2-1-3-6-18)23-11-4-10-22(12-13-23)17-19-21-9-16-26-19/h1-3,5-7,9,14,16H,4,8,10-13,15,17H2