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

Systemtic Name: 1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]thiourea Formula: C18H20BrN3OS2 MolecularWeight: 438.4049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H20BrN3OS2/c1-12-9-16(13(2)8-15(12)19)25-11-17(23)21-22-18(24)20-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,21,23)(H2,20,22,24)