1-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]-3-(3,4,5-trimethoxyphenyl)thiourea

Systemtic Name: 1-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]-3-(3,4,5-trimethoxyphenyl)thiourea Openeye Name: 1-[[2-(1-naphthylmethylsulfanyl)acetyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea CAS Name: 1-[[2-(1-naphthalenylmethylthio)-1-oxoethyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea IUPAC Name: 1-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea Traditional Name: 1-[[2-(1-naphthylmethylthio)acetyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)NNC(=O)CSCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)NNC(=O)CSCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H25N3O4S2/c1-28-19-11-17(12-20(29-2)22(19)30-3)24-23(31)26-25-21(27)14-32-13-16-9-6-8-15-7-4-5-10-18(15)16/h4-12H,13-14H2,1-3H3,(H,25,27)(H2,24,26,31)