1-[(2,5-dimethylphenyl)amino]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[(2,5-dimethylphenyl)amino]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-(2,5-dimethylanilino)-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-(2,5-dimethylanilino)-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-(2,5-dimethylanilino)-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-(2,5-dimethylanilino)-3-[2-(phenylthio)ethyl]thiourea Formula: C17H21N3S2 MolecularWeight: 331.49874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3S2/c1-13-8-9-14(2)16(12-13)19-20-17(21)18-10-11-22-15-6-4-3-5-7-15/h3-9,12,19H,10-11H2,1-2H3,(H2,18,20,21)