ethyl 4-[[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamothioylamino]benzoate Traditional Name: 4-[[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CS2)N(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CS2)N(C)C

InChI

InChI=1S/C18H23N3O2S2/c1-4-23-17(22)13-7-9-14(10-8-13)20-18(24)19-12-15(21(2)3)16-6-5-11-25-16/h5-11,15H,4,12H2,1-3H3,(H2,19,20,24)/t15-/m1/s1