1-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-(o-tolyl)thiourea Formula: C21H25ClN4O3S2 MolecularWeight: 481.0312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClN4O3S2/c1-15-8-4-5-9-18(15)23-21(30)25-24-20(27)16-10-11-17(22)19(14-16)31(28,29)26-12-6-2-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,24,27)(H2,23,25,30)