3-butyl-1-(3-chloranyl-4-methoxy-phenyl)-1-[(4-ethoxyphenyl)methyl]thiourea

Systemtic Name: 3-butyl-1-(3-chloranyl-4-methoxy-phenyl)-1-[(4-ethoxyphenyl)methyl]thiourea Openeye Name: 3-butyl-1-(3-chloro-4-methoxy-phenyl)-1-[(4-ethoxyphenyl)methyl]thiourea CAS Name: 3-butyl-1-(3-chloro-4-methoxyphenyl)-1-[(4-ethoxyphenyl)methyl]thiourea IUPAC Name: 3-butyl-1-(3-chloro-4-methoxyphenyl)-1-[(4-ethoxyphenyl)methyl]thiourea Traditional Name: 3-butyl-1-(3-chloro-4-methoxy-phenyl)-1-(4-ethoxybenzyl)thiourea Formula: C21H27ClN2O2S MolecularWeight: 406.96928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=CC=C(C=C1)OCC)C2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CCCCNC(=S)N(CC1=CC=C(C=C1)OCC)C2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C21H27ClN2O2S/c1-4-6-13-23-21(27)24(17-9-12-20(25-3)19(22)14-17)15-16-7-10-18(11-8-16)26-5-2/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,27)