S-(phenylmethyl) 4-(diethylamino)benzenecarbothioate

Systemtic Name: S-(phenylmethyl) 4-(diethylamino)benzenecarbothioate Openeye Name: S-benzyl 4-(diethylamino)benzenecarbothioate CAS Name: 4-(diethylamino)benzenecarbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 4-(diethylamino)benzenecarbothioate Traditional Name: 4-(diethylamino)thiobenzoic acid S-benzyl ester Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)SCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C18H21NOS/c1-3-19(4-2)17-12-10-16(11-13-17)18(20)21-14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3