4-azanyl-3-[1-(dibutylamino)propyl]benzenecarbothioic S-acid

Systemtic Name: 4-azanyl-3-[1-(dibutylamino)propyl]benzenecarbothioic S-acid Openeye Name: 4-amino-3-[1-(dibutylamino)propyl]benzenecarbothioic S-acid CAS Name: 4-amino-3-[1-(dibutylamino)propyl]benzenecarbothioic S-acid IUPAC Name: 4-amino-3-[1-(dibutylamino)propyl]benzenecarbothioic S-acid Traditional Name: 4-amino-3-[1-(dibutylamino)propyl]thiobenzoic acid Formula: C18H30N2OS MolecularWeight: 322.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(CC)C1=C(C=CC(=C1)C(=O)S)N

Isomeric SMILES

CCCCN(CCCC)C(CC)C1=C(C=CC(=C1)C(=O)S)N

InChI

InChI=1S/C18H30N2OS/c1-4-7-11-20(12-8-5-2)17(6-3)15-13-14(18(21)22)9-10-16(15)19/h9-10,13,17H,4-8,11-12,19H2,1-3H3,(H,21,22)