N-(2-azanyl-1,3-benzothiazol-6-yl)-3-(2-chloranyl-4-ethyl-phenyl)-3-(ethylamino)-2-oxidanyl-propanamide; benzamide

Systemtic Name: N-(2-azanyl-1,3-benzothiazol-6-yl)-3-(2-chloranyl-4-ethyl-phenyl)-3-(ethylamino)-2-oxidanyl-propanamide; benzamide Openeye Name: N-(2-amino-1,3-benzothiazol-6-yl)-3-(2-chloro-4-ethyl-phenyl)-3-(ethylamino)-2-hydroxy-propanamide; benzamide CAS Name: N-(2-amino-1,3-benzothiazol-6-yl)-3-(2-chloro-4-ethylphenyl)-3-(ethylamino)-2-hydroxypropanamide; benzamide IUPAC Name: N-(2-amino-1,3-benzothiazol-6-yl)-3-(2-chloro-4-ethylphenyl)-3-(ethylamino)-2-hydroxypropanamide; benzamide Traditional Name: N-(2-amino-1,3-benzothiazol-6-yl)-3-(2-chloro-4-ethyl-phenyl)-3-(ethylamino)-2-hydroxy-propionamide; benzamide Formula: C27H30ClN5O3S MolecularWeight: 540.0768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(C(C(=O)NC2=CC3=C(C=C2)N=C(S3)N)O)NCC)Cl.C1=CC=C(C=C1)C(=O)N

Isomeric SMILES

CCC1=CC(=C(C=C1)C(C(C(=O)NC2=CC3=C(C=C2)N=C(S3)N)O)NCC)Cl.C1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C20H23ClN4O2S.C7H7NO/c1-3-11-5-7-13(14(21)9-11)17(23-4-2)18(26)19(27)24-12-6-8-15-16(10-12)28-20(22)25-15;8-7(9)6-4-2-1-3-5-6/h5-10,17-18,23,26H,3-4H2,1-2H3,(H2,22,25)(H,24,27);1-5H,(H2,8,9)