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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-methoxyethyl)thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-methoxyethyl)thiourea Formula: C17H27N3O4S2 MolecularWeight: 401.54398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4S2/c1-23-12-9-18-17(25)19-15-13-14(7-8-16(15)24-2)26(21,22)20-10-5-3-4-6-11-20/h7-8,13H,3-6,9-12H2,1-2H3,(H2,18,19,25)