1-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(4-butoxy-3-chloro-5-methoxy-benzoyl)amino]thiourea CAS Name: 1-[[(4-butoxy-3-chloro-5-methoxyphenyl)-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]thiourea Traditional Name: 1-benzyl-3-[(4-butoxy-3-chloro-5-methoxy-benzoyl)amino]thiourea Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)NNC(=S)NCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)NNC(=S)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H24ClN3O3S/c1-3-4-10-27-18-16(21)11-15(12-17(18)26-2)19(25)23-24-20(28)22-13-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,23,25)(H2,22,24,28)