1-[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-oxoethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetyl]amino]-3-isoamyl-thiourea Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)NNC(=S)NCCC(C)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)NNC(=S)NCCC(C)C)OC)OC

InChI

InChI=1S/C18H29N3O3S2/c1-12(2)6-7-19-18(25)21-20-17(22)11-26-10-14-9-16(24-5)15(23-4)8-13(14)3/h8-9,12H,6-7,10-11H2,1-5H3,(H,20,22)(H2,19,21,25)