1,3-bis[4-(3-methylbutoxy)phenyl]thiourea; pyridine-4-carbohydrazide

Systemtic Name: 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea; pyridine-4-carbohydrazide Openeye Name: 1,3-bis(4-isopentyloxyphenyl)thiourea; pyridine-4-carbohydrazide CAS Name: 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea; 4-pyridinecarbohydrazide IUPAC Name: 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea; pyridine-4-carbohydrazide Traditional Name: 1,3-bis(4-isoamoxyphenyl)thiourea; isonicotinohydrazide Formula: C29H39N5O3S MolecularWeight: 537.71666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCCC(C)C.C1=CN=CC=C1C(=O)NN

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCCC(C)C.C1=CN=CC=C1C(=O)NN

InChI

InChI=1S/C23H32N2O2S.C6H7N3O/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4;7-9-6(10)5-1-3-8-4-2-5/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28);1-4H,7H2,(H,9,10)