2-azanyl-2-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)cyclohexane-1-carboxamide

Systemtic Name: 2-azanyl-2-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)cyclohexane-1-carboxamide Openeye Name: 2-amino-2-[3-(benzylamino)-3-oxo-propyl]-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)cyclohexanecarboxamide CAS Name: 2-amino-2-[3-oxo-3-[(phenylmethyl)amino]propyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1-cyclohexanecarboxamide IUPAC Name: 2-amino-2-[3-(benzylamino)-3-oxopropyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)cyclohexane-1-carboxamide Traditional Name: 2-amino-2-[3-(benzylamino)-3-keto-propyl]-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)cyclohexanecarboxamide Formula: C19H25N5O2S2 MolecularWeight: 419.5641

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=NNC(=S)S2)(CCC(=O)NCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=NNC(=S)S2)(CCC(=O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C19H25N5O2S2/c20-19(11-9-15(25)21-12-13-6-2-1-3-7-13)10-5-4-8-14(19)16(26)22-17-23-24-18(27)28-17/h1-3,6-7,14H,4-5,8-12,20H2,(H,21,25)(H,24,27)(H,22,23,26)