N-[(2S)-1-[[4-(2-azanylidenepiperidin-1-yl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-5-chloranyl-thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[4-(2-azanylidenepiperidin-1-yl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-5-chloranyl-thiophene-2-carboxamide Openeye Name: 5-chloro-N-[(1S)-1-[[4-(2-imino-1-piperidyl)phenyl]carbamoyl]-3-methyl-butyl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[(2S)-1-[4-(2-imino-1-piperidinyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[(2S)-1-[4-(2-iminopiperidin-1-yl)anilino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[(1S)-1-[[4-(2-iminopiperidino)phenyl]carbamoyl]-3-methyl-butyl]thiophene-2-carboxamide Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2=N)NC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2=N)NC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C22H27ClN4O2S/c1-14(2)13-17(26-22(29)18-10-11-19(23)30-18)21(28)25-15-6-8-16(9-7-15)27-12-4-3-5-20(27)24/h6-11,14,17,24H,3-5,12-13H2,1-2H3,(H,25,28)(H,26,29)/t17-/m0/s1