3-azanyl-5-butyl-4-(phenylmethyl)benzenecarbothioic S-acid

Systemtic Name: 3-azanyl-5-butyl-4-(phenylmethyl)benzenecarbothioic S-acid Openeye Name: 3-amino-4-benzyl-5-butyl-benzenecarbothioic S-acid CAS Name: 3-amino-5-butyl-4-(phenylmethyl)benzenecarbothioic S-acid IUPAC Name: 3-amino-4-benzyl-5-butylbenzenecarbothioic S-acid Traditional Name: 3-amino-4-benzyl-5-butyl-thiobenzoic acid Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)C(=O)S)N)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)C(=O)S)N)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NOS/c1-2-3-9-14-11-15(18(20)21)12-17(19)16(14)10-13-7-5-4-6-8-13/h4-8,11-12H,2-3,9-10,19H2,1H3,(H,20,21)