1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[(E)-(4-tert-butylphenyl)methyleneamino]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(E)-(4-tert-butylbenzylidene)amino]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea Formula: C22H27ClN4O3S2 MolecularWeight: 495.05778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=NNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=N/NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C22H27ClN4O3S2/c1-22(2,3)17-6-4-16(5-7-17)15-24-26-21(31)25-20-14-18(8-9-19(20)23)32(28,29)27-10-12-30-13-11-27/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,31)/b24-15+