octyl N-(butylcarbamoyl)-N-[(4-nitrophenyl)sulfanylcarbamoyl]carbamimidate

Systemtic Name: octyl N-(butylcarbamoyl)-N-[(4-nitrophenyl)sulfanylcarbamoyl]carbamimidate Openeye Name: 1-(butylcarbamoyl)-3-(4-nitrophenyl)sulfanyl-1-(octoxycarbonimidoyl)urea CAS Name: N-[butylamino(oxo)methyl]-N-[[[(4-nitrophenyl)thio]amino]-oxomethyl]carbamimidic acid octyl ester IUPAC Name: octyl N-(butylcarbamoyl)-N-[(4-nitrophenyl)sulfanylcarbamoyl]carbamimidate Traditional Name: 1-(butylcarbamoyl)-3-[(4-nitrophenyl)thio]-1-(octoxycarbonimidoyl)urea Formula: C21H33N5O5S MolecularWeight: 467.58222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=N)N(C(=O)NCCCC)C(=O)NSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=N)N(C(=O)NCCCC)C(=O)NSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C21H33N5O5S/c1-3-5-7-8-9-10-16-31-19(22)25(20(27)23-15-6-4-2)21(28)24-32-18-13-11-17(12-14-18)26(29)30/h11-14,22H,3-10,15-16H2,1-2H3,(H,23,27)(H,24,28)