3-methyl-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[4-(3-phenylpropoxy)phenyl]thiocarbamoyl]butyramide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-16(2)15-20(24)23-21(26)22-18-10-12-19(13-11-18)25-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H2,22,23,24,26)