1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[3-(methylthio)propyl]thiourea Formula: C18H29N3O3S3 MolecularWeight: 431.63616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=S)NCCCSC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=S)NCCCSC

InChI

InChI=1S/C18H29N3O3S3/c1-24-17-9-8-15(27(22,23)21-11-5-3-4-6-12-21)14-16(17)20-18(25)19-10-7-13-26-2/h8-9,14H,3-7,10-13H2,1-2H3,(H2,19,20,25)