bis[4-(3-methylbutoxy)phenyl]carbamothioic S-acid

Systemtic Name: bis[4-(3-methylbutoxy)phenyl]carbamothioic S-acid Openeye Name: bis(4-isopentyloxyphenyl)carbamothioic S-acid CAS Name: bis[4-(3-methylbutoxy)phenyl]carbamothioic S-acid IUPAC Name: bis[4-(3-methylbutoxy)phenyl]carbamothioic S-acid Traditional Name: bis(4-isoamoxyphenyl)thiocarbamic S-acid Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)N(C2=CC=C(C=C2)OCCC(C)C)C(=O)S

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)N(C2=CC=C(C=C2)OCCC(C)C)C(=O)S

InChI

InChI=1S/C23H31NO3S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24(23(25)28)20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,25,28)