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

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(2-methoxyphenyl)carbamothioylamino]thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(2-methoxyphenyl)carbamothioylamino]thiourea CAS Name: 1-[[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(2-methoxyphenyl)carbamothioylamino]thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(2-methoxyphenyl)thiocarbamoylamino]thiourea Formula: C19H22ClN5O4S3 MolecularWeight: 516.05708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C19H22ClN5O4S3/c1-28-17-5-3-2-4-15(17)21-18(30)23-24-19(31)22-16-12-13(6-7-14(16)20)32(26,27)25-8-10-29-11-9-25/h2-7,12H,8-11H2,1H3,(H2,21,23,30)(H2,22,24,31)