N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-30(2)25(31)16-13-21-11-14-23(15-12-21)28-27(34)29-26(32)22-9-6-10-24(19-22)33-18-17-20-7-4-3-5-8-20/h3-12,14-15,19H,13,16-18H2,1-2H3,(H2,28,29,32,34)