1-[(4-butoxyphenyl)carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[(4-butoxyphenyl)carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[(4-butoxybenzoyl)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[(4-butoxyphenyl)-oxomethyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[(4-butoxybenzoyl)amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[(4-butoxybenzoyl)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC2=C(C=CC=C2CC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC2=C(C=CC=C2CC)C

InChI

InChI=1S/C21H27N3O2S/c1-4-6-14-26-18-12-10-17(11-13-18)20(25)23-24-21(27)22-19-15(3)8-7-9-16(19)5-2/h7-13H,4-6,14H2,1-3H3,(H,23,25)(H2,22,24,27)