[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C19H20N4OS2 MolecularWeight: 384.5183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C19H20N4OS2/c24-18(16-8-4-13-25-16)22-9-5-10-23(12-11-22)19-20-17(21-26-19)14-15-6-2-1-3-7-15/h1-4,6-8,13H,5,9-12,14H2