N-(2-oxidanylideneazepan-3-yl)-3-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]propanamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-3-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]propanamide Openeye Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isopropyl-amino]-N-(2-oxoazepan-3-yl)propanamide CAS Name: N-(2-oxo-3-azepanyl)-3-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanamide IUPAC Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-(2-oxoazepan-3-yl)propanamide Traditional Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isopropyl-amino]-N-(2-ketoazepan-3-yl)propionamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)NC1CCCCNC1=O)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCC(=O)NC1CCCCNC1=O)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-15(2)26(13-11-19(27)23-17-10-6-7-12-22-20(17)28)21-24-18(25-29-21)14-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H,22,28)(H,23,27)