N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]butanamide CAS Name: N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]butyramide Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=C(C=C1)CN2CCCC2

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=C(C=C1)CN2CCCC2

InChI

InChI=1S/C16H23N3OS/c1-2-5-15(20)18-16(21)17-14-8-6-13(7-9-14)12-19-10-3-4-11-19/h6-9H,2-5,10-12H2,1H3,(H2,17,18,20,21)