methyl 2-[3-[[ethyl(piperazin-1-yl)carbamoyl]amino]propylsulfanyl]-1,3-benzoxazole-7-carboxylate

Systemtic Name: methyl 2-[3-[[ethyl(piperazin-1-yl)carbamoyl]amino]propylsulfanyl]-1,3-benzoxazole-7-carboxylate Openeye Name: methyl 2-[3-[[ethyl(piperazin-1-yl)carbamoyl]amino]propylsulfanyl]-1,3-benzoxazole-7-carboxylate CAS Name: 2-[3-[[[ethyl(1-piperazinyl)amino]-oxomethyl]amino]propylthio]-1,3-benzoxazole-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-[[ethyl(piperazin-1-yl)carbamoyl]amino]propylsulfanyl]-1,3-benzoxazole-7-carboxylate Traditional Name: 2-[3-[[ethyl(piperazino)carbamoyl]amino]propylthio]-1,3-benzoxazole-7-carboxylic acid methyl ester Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)NCCCSC1=NC2=CC=CC(=C2O1)C(=O)OC)N3CCNCC3

Isomeric SMILES

CCN(C(=O)NCCCSC1=NC2=CC=CC(=C2O1)C(=O)OC)N3CCNCC3

InChI

InChI=1S/C19H27N5O4S/c1-3-24(23-11-9-20-10-12-23)18(26)21-8-5-13-29-19-22-15-7-4-6-14(16(15)28-19)17(25)27-2/h4,6-7,20H,3,5,8-13H2,1-2H3,(H,21,26)