1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenethyl-thiourea

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenethyl-thiourea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenethyl-thiourea CAS Name: 1-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-phenethylthiourea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-phenethylthiourea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenethyl-thiourea Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O2S2/c1-18-11-12-20(24-22(28)23-14-13-19-9-5-4-6-10-19)17-21(18)29(26,27)25-15-7-2-3-8-16-25/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3,(H2,23,24,28)