1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(o-tolyl)thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(o-tolyl)thiourea Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H27N3O3S2/c1-16-9-5-6-10-18(16)22-21(28)23-19-15-17(11-12-20(19)27-2)29(25,26)24-13-7-3-4-8-14-24/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H2,22,23,28)