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

Systemtic Name: 1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea; 1,4-dioxane Openeye Name: 1-[(E)-(4-tert-butylphenyl)methyleneamino]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea; 1,4-dioxane CAS Name: 1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea; 1,4-dioxane IUPAC Name: 1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea; 1,4-dioxane Traditional Name: 1-[(E)-(4-tert-butylbenzylidene)amino]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea; 1,4-dioxane Formula: C26H35ClN4O5S2 MolecularWeight: 583.1629

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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.C1COCCO1

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=N/NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl.C1COCCO1

InChI

InChI=1S/C22H27ClN4O3S2.C4H8O2/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;1-2-6-4-3-5-1/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,31);1-4H2/b24-15+;