N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-chloranyl-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-chloranyl-benzamide Openeye Name: N-[(1S)-2-(1,3-benzothiazol-2-ylmethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-chloro-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-chlorobenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-chlorobenzamide Traditional Name: N-[(1S)-2-(1,3-benzothiazol-2-ylmethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-chloro-benzamide Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21ClN4O2S/c27-18-11-9-16(10-12-18)25(32)31-22(13-17-14-28-20-6-2-1-5-19(17)20)26(33)29-15-24-30-21-7-3-4-8-23(21)34-24/h1-12,14,22,28H,13,15H2,(H,29,33)(H,31,32)/t22-/m0/s1