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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethylphenyl)thiourea Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-16-7-8-17(2)20(15-16)23-21(27)22-18-9-11-19(12-10-18)28(25,26)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H2,22,23,27)