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

Systemtic Name: methyl 2-[2-[[ethyl(piperazin-1-yl)carbamoyl]amino]ethylsulfanyl]-1,3-benzoxazole-7-carboxylate Openeye Name: methyl 2-[2-[[ethyl(piperazin-1-yl)carbamoyl]amino]ethylsulfanyl]-1,3-benzoxazole-7-carboxylate CAS Name: 2-[2-[[[ethyl(1-piperazinyl)amino]-oxomethyl]amino]ethylthio]-1,3-benzoxazole-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[[ethyl(piperazin-1-yl)carbamoyl]amino]ethylsulfanyl]-1,3-benzoxazole-7-carboxylate Traditional Name: 2-[2-[[ethyl(piperazino)carbamoyl]amino]ethylthio]-1,3-benzoxazole-7-carboxylic acid methyl ester Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)NCCSC1=NC2=CC=CC(=C2O1)C(=O)OC)N3CCNCC3

Isomeric SMILES

CCN(C(=O)NCCSC1=NC2=CC=CC(=C2O1)C(=O)OC)N3CCNCC3

InChI

InChI=1S/C18H25N5O4S/c1-3-23(22-10-7-19-8-11-22)17(25)20-9-12-28-18-21-14-6-4-5-13(15(14)27-18)16(24)26-2/h4-6,19H,3,7-12H2,1-2H3,(H,20,25)