1-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-oxoethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[2-[(5-acetyl-2-methoxy-benzyl)thio]acetyl]amino]-3-isoamyl-thiourea Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CSCC1=C(C=CC(=C1)C(=O)C)OC

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CSCC1=C(C=CC(=C1)C(=O)C)OC

InChI

InChI=1S/C18H27N3O3S2/c1-12(2)7-8-19-18(25)21-20-17(23)11-26-10-15-9-14(13(3)22)5-6-16(15)24-4/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,20,23)(H2,19,21,25)