1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea Formula: C20H20ClN5O4S4 MolecularWeight: 558.1169

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NNC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NNC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20ClN5O4S4/c21-14-6-5-13(34(28,29)26-7-9-30-10-8-26)11-16(14)22-19(31)25-24-18(27)12-32-20-23-15-3-1-2-4-17(15)33-20/h1-6,11H,7-10,12H2,(H,24,27)(H2,22,25,31)