N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-4-(2-thiazolylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2,4-dichlorobenzyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide Formula: C17H20Cl2N4OS MolecularWeight: 399.3379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl)CC3=NC=CS3

InChI

InChI=1S/C17H20Cl2N4OS/c18-14-3-2-13(15(19)10-14)11-21-17(24)23-6-1-5-22(7-8-23)12-16-20-4-9-25-16/h2-4,9-10H,1,5-8,11-12H2,(H,21,24)