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

Systemtic Name: 1-[2,2-dimethyl-3-[(3-methylphenyl)carbamothioylamino]propyl]-3-(3-methylphenyl)thiourea Openeye Name: 1-[2,2-dimethyl-3-(m-tolylcarbamothioylamino)propyl]-3-(m-tolyl)thiourea CAS Name: 1-[2,2-dimethyl-3-[[(3-methylanilino)-sulfanylidenemethyl]amino]propyl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[2,2-dimethyl-3-[(3-methylphenyl)carbamothioylamino]propyl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[2,2-dimethyl-3-(m-tolylthiocarbamoylamino)propyl]-3-(m-tolyl)thiourea Formula: C21H28N4S2 MolecularWeight: 400.60382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4S2/c1-15-7-5-9-17(11-15)24-19(26)22-13-21(3,4)14-23-20(27)25-18-10-6-8-16(2)12-18/h5-12H,13-14H2,1-4H3,(H2,22,24,26)(H2,23,25,27)