N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

InChI

InChI=1S/C21H24ClN3OS/c1-14(2)15-5-7-16(8-6-15)20(26)24-21(27)23-17-9-10-19(18(22)13-17)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,23,24,26,27)