[4-[(4-butoxyphenyl)carbonylamino]-3-chloranyl-phenyl] thiocyanate

Systemtic Name: [4-[(4-butoxyphenyl)carbonylamino]-3-chloranyl-phenyl] thiocyanate Openeye Name: [4-[(4-butoxybenzoyl)amino]-3-chloro-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(4-butoxyphenyl)-oxomethyl]amino]-3-chlorophenyl] ester IUPAC Name: [4-[(4-butoxybenzoyl)amino]-3-chlorophenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4-butoxybenzoyl)amino]-3-chloro-phenyl] ester Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)SC#N)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)SC#N)Cl

InChI

InChI=1S/C18H17ClN2O2S/c1-2-3-10-23-14-6-4-13(5-7-14)18(22)21-17-9-8-15(24-12-20)11-16(17)19/h4-9,11H,2-3,10H2,1H3,(H,21,22)