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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-3-4-8-13-22-21(28)24-23-20(25)17-11-12-18(19(14-17)26-2)27-15-16-9-6-5-7-10-16/h5-7,9-12,14H,3-4,8,13,15H2,1-2H3,(H,23,25)(H2,22,24,28)