N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-piperonyl-propionamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C19H18N4O3S2/c1-12(17(24)20-10-13-7-8-15-16(9-13)26-11-25-15)27-19-23-22-18(28-19)21-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,20,24)(H,21,22)