4-(diethylamino)-N-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide

Systemtic Name: 4-(diethylamino)-N-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 4-(diethylamino)-N-[[4-(4-phenoxyphenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 4-(diethylamino)-N-[[[4-(4-phenoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(diethylamino)-N-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 4-(diethylamino)-N-[[4-(4-phenoxyphenyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C27H26N4O2S2 MolecularWeight: 502.65094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O2S2/c1-3-31(4-2)21-14-10-20(11-15-21)25(32)29-26(34)30-27-28-24(18-35-27)19-12-16-23(17-13-19)33-22-8-6-5-7-9-22/h5-18H,3-4H2,1-2H3,(H2,28,29,30,32,34)