4-chloranyl-N-[1-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C22H21ClN4O5S MolecularWeight: 488.94394

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)OC(=N2)C3CC3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=C(C=C1)OC(=N2)C3CC3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN4O5S/c1-33-9-8-16(25-20(28)13-4-6-15(23)18(10-13)27(30)31)21(29)24-14-5-7-19-17(11-14)26-22(32-19)12-2-3-12/h4-7,10-12,16H,2-3,8-9H2,1H3,(H,24,29)(H,25,28)