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

Systemtic Name: N-(2-azanyl-1,3-benzothiazol-6-yl)-3-(ethylamino)-3-(4-ethyl-3-methyl-phenyl)-2-oxidanyl-propanamide; benzamide Openeye Name: N-(2-amino-1,3-benzothiazol-6-yl)-3-(ethylamino)-3-(4-ethyl-3-methyl-phenyl)-2-hydroxy-propanamide; benzamide CAS Name: N-(2-amino-1,3-benzothiazol-6-yl)-3-(ethylamino)-3-(4-ethyl-3-methylphenyl)-2-hydroxypropanamide; benzamide IUPAC Name: N-(2-amino-1,3-benzothiazol-6-yl)-3-(ethylamino)-3-(4-ethyl-3-methylphenyl)-2-hydroxypropanamide; benzamide Traditional Name: N-(2-amino-1,3-benzothiazol-6-yl)-3-(ethylamino)-3-(4-ethyl-3-methyl-phenyl)-2-hydroxy-propionamide; benzamide Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S.C7H7NO/c1-4-13-6-7-14(10-12(13)3)18(23-5-2)19(26)20(27)24-15-8-9-16-17(11-15)28-21(22)25-16;8-7(9)6-4-2-1-3-5-6/h6-11,18-19,23,26H,4-5H2,1-3H3,(H2,22,25)(H,24,27);1-5H,(H2,8,9)