1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-p-cumenyl-thiourea Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S2/c1-17(2)19-9-12-20(13-10-19)24-23(29)25-21-11-8-18(3)22(16-21)30(27,28)26-14-6-4-5-7-15-26/h8-13,16-17H,4-7,14-15H2,1-3H3,(H2,24,25,29)