1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea CAS Name: 1-[3-(1-azepanylsulfonyl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S2/c1-28-20-11-9-18(10-12-20)13-14-23-22(29)24-19-7-6-8-21(17-19)30(26,27)25-15-4-2-3-5-16-25/h6-12,17H,2-5,13-16H2,1H3,(H2,23,24,29)