N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: N-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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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=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-30(2)25(31)17-10-20-8-13-22(14-9-20)28-27(35)29-26(32)21-11-15-24(16-12-21)34-19-18-33-23-6-4-3-5-7-23/h3-9,11-16H,10,17-19H2,1-2H3,(H2,28,29,32,35)