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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methoxyphenyl)thiourea Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H27N3O4S2/c1-27-17-9-7-8-16(14-17)22-21(29)23-19-15-18(10-11-20(19)28-2)30(25,26)24-12-5-3-4-6-13-24/h7-11,14-15H,3-6,12-13H2,1-2H3,(H2,22,23,29)