1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-3-(3,5-dimethylphenyl)thiourea Formula: C19H22BrN3OS2 MolecularWeight: 452.43148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NNC(=O)CSC2=C(C=C(C(=C2)C)Br)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NNC(=O)CSC2=C(C=C(C(=C2)C)Br)C)C

InChI

InChI=1S/C19H22BrN3OS2/c1-11-5-12(2)7-15(6-11)21-19(25)23-22-18(24)10-26-17-9-13(3)16(20)8-14(17)4/h5-9H,10H2,1-4H3,(H,22,24)(H2,21,23,25)