2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H25N5O4S/c1-12(2)18-23-24-20(25(18)14-5-6-14)30-11-17(26)22-19(27)21-13-4-7-15-16(10-13)29-9-3-8-28-15/h4,7,10,12,14H,3,5-6,8-9,11H2,1-2H3,(H2,21,22,26,27)