1-(1,3-benzoxazol-2-ylamino)-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzoxazol-2-ylamino)-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(1,3-benzoxazol-2-ylamino)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-(1,3-benzoxazol-2-ylamino)-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzoxazol-2-ylamino)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(1,3-benzoxazol-2-ylamino)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea Formula: C18H18ClN5O4S2 MolecularWeight: 467.94962

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NNC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NNC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H18ClN5O4S2/c19-13-6-5-12(30(25,26)24-7-9-27-10-8-24)11-15(13)21-18(29)23-22-17-20-14-3-1-2-4-16(14)28-17/h1-6,11H,7-10H2,(H,20,22)(H2,21,23,29)