3-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H19ClN2O4S/c21-16-6-12(7-17-19(16)27-11-26-17)9-28-10-18(24)22-15-3-1-2-13(8-15)20(25)23-14-4-5-14/h1-3,6-8,14H,4-5,9-11H2,(H,22,24)(H,23,25)