1-(3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)-3-(phenylmethyl)urea

Systemtic Name: 1-(3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(3-cyano-3a,4,5,6,7,7a-hexahydrobenzothiophen-2-yl)urea CAS Name: 1-(3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)urea Traditional Name: 1-benzyl-3-(3-cyano-3a,4,5,6,7,7a-hexahydrobenzothiophen-2-yl)urea Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=C(S2)NC(=O)NCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC2C(C1)C(=C(S2)NC(=O)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H19N3OS/c18-10-14-13-8-4-5-9-15(13)22-16(14)20-17(21)19-11-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-9,11H2,(H2,19,20,21)