N-[(3S)-2-oxidanylideneazepan-3-yl]-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-[(3S)-2-oxoazepan-3-yl]pyrrolidine-2-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-[(3S)-2-oxoazepan-3-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-[(3S)-2-ketoazepan-3-yl]pyrrolidine-2-carboxamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2CCCN2C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2CCCN2C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2S/c26-18-15(9-4-5-11-21-18)22-19(27)16-10-6-12-25(16)20-23-17(24-28-20)13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2,(H,21,26)(H,22,27)/t15-,16?/m0/s1