N-(phenylmethyl)-5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(phenylmethyl)-5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[1-(2-thienylmethyl)azepan-4-yl]-1,3,4-thiadiazol-2-amine CAS Name: N-(phenylmethyl)-5-[1-(thiophen-2-ylmethyl)-4-azepanyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[1-(2-thenyl)azepan-4-yl]-1,3,4-thiadiazol-2-yl]amine Formula: C20H24N4S2 MolecularWeight: 384.56136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC2=CC=CS2)C3=NN=C(S3)NCC4=CC=CC=C4

Isomeric SMILES

C1CC(CCN(C1)CC2=CC=CS2)C3=NN=C(S3)NCC4=CC=CC=C4

InChI

InChI=1S/C20H24N4S2/c1-2-6-16(7-3-1)14-21-20-23-22-19(26-20)17-8-4-11-24(12-10-17)15-18-9-5-13-25-18/h1-3,5-7,9,13,17H,4,8,10-12,14-15H2,(H,21,23)