4-azanyl-2-oxidanyl-benzoic acid; 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea

Systemtic Name: 4-azanyl-2-oxidanyl-benzoic acid; 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea Openeye Name: 4-amino-2-hydroxy-benzoic acid; 1,3-bis(4-isopentyloxyphenyl)thiourea CAS Name: 4-amino-2-hydroxybenzoic acid; 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea IUPAC Name: 4-amino-2-hydroxybenzoic acid; 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea Traditional Name: 4-amino-2-hydroxy-benzoic acid; 1,3-bis(4-isoamoxyphenyl)thiourea Formula: C30H39N3O5S MolecularWeight: 553.71276

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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=CC(=C(C=C1N)O)C(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCCC(C)C.C1=CC(=C(C=C1N)O)C(=O)O

InChI

InChI=1S/C23H32N2O2S.C7H7NO3/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;8-4-1-2-5(7(10)11)6(9)3-4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28);1-3,9H,8H2,(H,10,11)