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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-bromanyl-2-chloranyl-phenyl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-bromo-2-chloro-phenyl)thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(4-bromo-2-chlorophenyl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-bromo-2-chlorophenyl)thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-bromo-2-chloro-phenyl)thiourea Formula: C19H21BrClN3O2S2 MolecularWeight: 502.87594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H21BrClN3O2S2/c20-14-5-10-18(17(21)13-14)23-19(27)22-15-6-8-16(9-7-15)28(25,26)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12H2,(H2,22,23,27)