1-(3,5-dimethylphenyl)-3-[(2S)-5-methylhexan-2-yl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(2S)-5-methylhexan-2-yl]thiourea Openeye Name: 1-[(1S)-1,4-dimethylpentyl]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[(2S)-5-methylhexan-2-yl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[(2S)-5-methylhexan-2-yl]thiourea Traditional Name: 1-[(1S)-1,4-dimethylpentyl]-3-(3,5-dimethylphenyl)thiourea Formula: C16H26N2S MolecularWeight: 278.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC(C)CCC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N[C@@H](C)CCC(C)C)C

InChI

InChI=1S/C16H26N2S/c1-11(2)6-7-14(5)17-16(19)18-15-9-12(3)8-13(4)10-15/h8-11,14H,6-7H2,1-5H3,(H2,17,18,19)/t14-/m0/s1