[4-(phenylmethyl)-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CNC2=S)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CNC2=S)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS/c22-18(16-8-4-9-19-17(16)23)21-11-5-10-20(12-13-21)14-15-6-2-1-3-7-15/h1-4,6-9H,5,10-14H2,(H,19,23)