1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(E)-quinolin-6-ylmethylideneamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(E)-quinolin-6-ylmethylideneamino]thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(E)-6-quinolylmethyleneamino]thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-[(E)-6-quinolinylmethylideneamino]thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(E)-quinolin-6-ylmethylideneamino]thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(E)-6-quinolylmethyleneamino]thiourea Formula: C21H20ClN5O3S2 MolecularWeight: 489.9982

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NN=CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)N/N=C/C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C21H20ClN5O3S2/c22-18-5-4-17(32(28,29)27-8-10-30-11-9-27)13-20(18)25-21(31)26-24-14-15-3-6-19-16(12-15)2-1-7-23-19/h1-7,12-14H,8-11H2,(H2,25,26,31)/b24-14+