1,3-bis(4,10-dihydrothieno[3,2-c][1]benzothiepin-10-ylmethyl)urea

Systemtic Name: 1,3-bis(4,10-dihydrothieno[3,2-c][1]benzothiepin-10-ylmethyl)urea Openeye Name: 1,3-bis(4,10-dihydrothieno[3,2-c][1]benzothiepin-10-ylmethyl)urea CAS Name: 1,3-bis(4,10-dihydrothieno[3,2-c][1]benzothiepin-10-ylmethyl)urea IUPAC Name: 1,3-bis(4,10-dihydrothieno[3,2-c][1]benzothiepin-10-ylmethyl)urea Traditional Name: 1,3-bis(4,10-dihydrothieno[3,2-c][1]benzothiepin-10-ylmethyl)urea Formula: C27H24N2OS4 MolecularWeight: 520.75226

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(C3=CC=CC=C3S1)CNC(=O)NCC4C5=CC=CC=C5SCC6=C4SC=C6)SC=C2

Isomeric SMILES

C1C2=C(C(C3=CC=CC=C3S1)CNC(=O)NCC4C5=CC=CC=C5SCC6=C4SC=C6)SC=C2

InChI

InChI=1S/C27H24N2OS4/c30-27(28-13-21-19-5-1-3-7-23(19)33-15-17-9-11-31-25(17)21)29-14-22-20-6-2-4-8-24(20)34-16-18-10-12-32-26(18)22/h1-12,21-22H,13-16H2,(H2,28,29,30)