1-[(4-butoxy-3-methoxy-phenyl)carbonylamino]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[(4-butoxy-3-methoxy-phenyl)carbonylamino]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[(4-butoxy-3-methoxy-benzoyl)amino]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[[(4-butoxy-3-methoxyphenyl)-oxomethyl]amino]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[(4-butoxy-3-methoxybenzoyl)amino]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[(4-butoxy-3-methoxy-benzoyl)amino]-3-(3,5-dimethylphenyl)thiourea Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=CC(=CC(=C2)C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=CC(=CC(=C2)C)C)OC

InChI

InChI=1S/C21H27N3O3S/c1-5-6-9-27-18-8-7-16(13-19(18)26-4)20(25)23-24-21(28)22-17-11-14(2)10-15(3)12-17/h7-8,10-13H,5-6,9H2,1-4H3,(H,23,25)(H2,22,24,28)