1,3-bis[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea

Systemtic Name: 1,3-bis[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea Openeye Name: 1,3-bis(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)thiourea CAS Name: 1,3-bis[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea IUPAC Name: 1,3-bis(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)thiourea Traditional Name: 1,3-bis(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)thiourea Formula: C31H28N6S3 MolecularWeight: 580.78922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=S)NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C#N)C#N)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=S)NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C#N)C#N)CC6=CC=CC=C6

InChI

InChI=1S/C31H28N6S3/c32-15-25-23-11-13-36(17-21-7-3-1-4-8-21)19-27(23)39-29(25)34-31(38)35-30-26(16-33)24-12-14-37(20-28(24)40-30)18-22-9-5-2-6-10-22/h1-10H,11-14,17-20H2,(H2,34,35,38)