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

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-[3-(1-azepanylsulfonyl)phenyl]-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea Formula: C23H29ClN4O5S3 MolecularWeight: 573.14816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=S)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=S)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C23H29ClN4O5S3/c24-21-9-8-20(36(31,32)28-12-14-33-15-13-28)17-22(21)26-23(34)25-18-6-5-7-19(16-18)35(29,30)27-10-3-1-2-4-11-27/h5-9,16-17H,1-4,10-15H2,(H2,25,26,34)