N-[1-(1,3-benzodioxol-5-yl)propyl]-2-oxidanylidene-3-(phenylmethyl)-4-phenylsulfanyl-azetidine-1-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)propyl]-2-oxidanylidene-3-(phenylmethyl)-4-phenylsulfanyl-azetidine-1-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)propyl]-3-benzyl-2-oxo-4-phenylsulfanyl-azetidine-1-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)propyl]-2-oxo-3-(phenylmethyl)-4-(phenylthio)-1-azetidinecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)propyl]-3-benzyl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)propyl]-3-benzyl-2-keto-4-(phenylthio)azetidine-1-carboxamide Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCO2)NC(=O)N3C(C(C3=O)CC4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CCC(C1=CC2=C(C=C1)OCO2)NC(=O)N3C(C(C3=O)CC4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4S/c1-2-22(19-13-14-23-24(16-19)33-17-32-23)28-27(31)29-25(30)21(15-18-9-5-3-6-10-18)26(29)34-20-11-7-4-8-12-20/h3-14,16,21-22,26H,2,15,17H2,1H3,(H,28,31)