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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-methylthiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-methylthiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-thiourea Formula: C15H23N3O3S2 MolecularWeight: 357.49142

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C15H23N3O3S2/c1-16-15(22)17-13-11-12(7-8-14(13)21-2)23(19,20)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3,(H2,16,17,22)