1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,4-dimethylphenyl)thiourea Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

InChI

InChI=1S/C22H29N3O3S2/c1-16-8-9-18(14-17(16)2)23-22(29)24-20-15-19(10-11-21(20)28-3)30(26,27)25-12-6-4-5-7-13-25/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,23,24,29)