1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-chloranyl-2-methoxy-phenyl)thiourea

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-chloranyl-2-methoxy-phenyl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-chloro-2-methoxy-phenyl)thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(5-chloro-2-methoxyphenyl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-chloro-2-methoxyphenyl)thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-chloro-2-methoxy-phenyl)thiourea Formula: C20H24ClN3O3S2 MolecularWeight: 454.00586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24ClN3O3S2/c1-27-19-11-6-15(21)14-18(19)23-20(28)22-16-7-9-17(10-8-16)29(25,26)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H2,22,23,28)