1-(4-methoxyphenyl)-3-[5-[(4-methoxyphenyl)carbamothioylamino]pentyl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[5-[(4-methoxyphenyl)carbamothioylamino]pentyl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[5-[(4-methoxyphenyl)carbamothioylamino]pentyl]thiourea CAS Name: 1-[5-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]pentyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[5-[(4-methoxyphenyl)carbamothioylamino]pentyl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[5-[(4-methoxyphenyl)thiocarbamoylamino]pentyl]thiourea Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCCCCCNC(=S)NC2=CC=C(C=C2)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCCCCCNC(=S)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N4O2S2/c1-26-18-10-6-16(7-11-18)24-20(28)22-14-4-3-5-15-23-21(29)25-17-8-12-19(27-2)13-9-17/h6-13H,3-5,14-15H2,1-2H3,(H2,22,24,28)(H2,23,25,29)