1-(2,6-dimethylphenyl)-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea CAS Name: 1-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[2-(phenylthio)ethylthiocarbamoylamino]thiourea Formula: C18H22N4S3 MolecularWeight: 390.58908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C18H22N4S3/c1-13-7-6-8-14(2)16(13)20-18(24)22-21-17(23)19-11-12-25-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H2,19,21,23)(H2,20,22,24)