N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C27H30N4O2S MolecularWeight: 474.6177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H30N4O2S/c1-3-31(4-2)19-18-28-25(32)22-14-16-24(17-15-22)29-27(34)30-26(33)23-12-10-21(11-13-23)20-8-6-5-7-9-20/h5-17H,3-4,18-19H2,1-2H3,(H,28,32)(H2,29,30,33,34)