1-[2,2-dimethyl-3-[(4-methylphenyl)carbamothioylamino]propyl]-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[2,2-dimethyl-3-[(4-methylphenyl)carbamothioylamino]propyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[2,2-dimethyl-3-(p-tolylcarbamothioylamino)propyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[2,2-dimethyl-3-[[(4-methylanilino)-sulfanylidenemethyl]amino]propyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[2,2-dimethyl-3-[(4-methylphenyl)carbamothioylamino]propyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[2,2-dimethyl-3-(p-tolylthiocarbamoylamino)propyl]-3-(4-methoxyphenyl)thiourea Formula: C21H28N4OS2 MolecularWeight: 416.60322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NCC(C)(C)CNC(=S)NC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NCC(C)(C)CNC(=S)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N4OS2/c1-15-5-7-16(8-6-15)24-19(27)22-13-21(2,3)14-23-20(28)25-17-9-11-18(26-4)12-10-17/h5-12H,13-14H2,1-4H3,(H2,22,24,27)(H2,23,25,28)