N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-chloranyl-benzamide

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-chloranyl-benzamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3-chloro-benzamide CAS Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]-3-chlorobenzamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-chlorobenzamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3-chloro-benzamide Formula: C28H21ClN2O4S MolecularWeight: 516.99534

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H21ClN2O4S/c29-20-9-4-8-19(14-20)27(32)30-21-10-5-11-23(15-21)36-26(18-6-2-1-3-7-18)28(33)31-22-12-13-24-25(16-22)35-17-34-24/h1-16,26H,17H2,(H,30,32)(H,31,33)