N-[(2R)-1-[2-[2-(benzimidazol-1-yl)ethanoyl]hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[(2R)-1-[2-[2-(benzimidazol-1-yl)ethanoyl]hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[(1R)-1-[[[2-(benzimidazol-1-yl)acetyl]amino]carbamoyl]-3-methylsulfanyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2R)-1-[[2-(1-benzimidazolyl)-1-oxoethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2R)-1-[2-[2-(benzimidazol-1-yl)acetyl]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: N-[(1R)-1-[[[2-(benzimidazol-1-yl)acetyl]amino]carbamoyl]-3-(methylthio)propyl]-4-methoxy-benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)NNC(=O)CN2C=NC3=CC=CC=C32

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)NNC(=O)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C22H25N5O4S/c1-31-16-9-7-15(8-10-16)21(29)24-18(11-12-32-2)22(30)26-25-20(28)13-27-14-23-17-5-3-4-6-19(17)27/h3-10,14,18H,11-13H2,1-2H3,(H,24,29)(H,25,28)(H,26,30)/t18-/m1/s1