N-[(2S)-1-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-[[[4-(diethylamino)benzoyl]amino]carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[[[4-(diethylamino)phenyl]-oxomethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-[[[4-(diethylamino)benzoyl]amino]carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)C(C(C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C21H28N4O3S/c1-5-25(6-2)16-11-9-15(10-12-16)19(26)23-24-21(28)18(14(3)4)22-20(27)17-8-7-13-29-17/h7-14,18H,5-6H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)/t18-/m0/s1