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

Systemtic Name: 3-azanyl-4-(phenylmethyl)-5-propyl-benzenecarbothioic S-acid Openeye Name: 3-amino-4-benzyl-5-propyl-benzenecarbothioic S-acid CAS Name: 3-amino-4-(phenylmethyl)-5-propylbenzenecarbothioic S-acid IUPAC Name: 3-amino-4-benzyl-5-propylbenzenecarbothioic S-acid Traditional Name: 3-amino-4-benzyl-5-propyl-thiobenzoic acid Formula: C17H19NOS MolecularWeight: 285.40386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)S)N)CC2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)S)N)CC2=CC=CC=C2

InChI

InChI=1S/C17H19NOS/c1-2-6-13-10-14(17(19)20)11-16(18)15(13)9-12-7-4-3-5-8-12/h3-5,7-8,10-11H,2,6,9,18H2,1H3,(H,19,20)