N-(1,3-benzothiazol-2-yl)-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[2-(4-methylanilino)-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[2-(4-methylanilino)-2-oxoethyl]piperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[2-keto-2-(p-toluidino)ethyl]piperazine-1-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N5O2S/c1-15-6-8-16(9-7-15)22-19(27)14-25-10-12-26(13-11-25)21(28)24-20-23-17-4-2-3-5-18(17)29-20/h2-9H,10-14H2,1H3,(H,22,27)(H,23,24,28)