1-[(3-methoxy-4-phenylmethoxy-phenyl)carbonylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)carbonylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[(4-benzyloxy-3-methoxy-benzoyl)amino]-3-isopentyl-thiourea CAS Name: 1-[[(3-methoxy-4-phenylmethoxyphenyl)-oxomethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[(3-methoxy-4-phenylmethoxybenzoyl)amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[(4-benzoxy-3-methoxy-benzoyl)amino]-3-isoamyl-thiourea Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H27N3O3S/c1-15(2)11-12-22-21(28)24-23-20(25)17-9-10-18(19(13-17)26-3)27-14-16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,25)(H2,22,24,28)