N-[7-acetamido-3,8-bis(chloranyl)thianthren-2-yl]ethanamide; N-(8-acetamidothianthren-2-yl)ethanamide

Systemtic Name: N-[7-acetamido-3,8-bis(chloranyl)thianthren-2-yl]ethanamide; N-(8-acetamidothianthren-2-yl)ethanamide Openeye Name: N-(7-acetamido-3,8-dichloro-thianthren-2-yl)acetamide; N-(8-acetamidothianthren-2-yl)acetamide CAS Name: N-(7-acetamido-3,8-dichloro-2-thianthrenyl)acetamide; N-(8-acetamido-2-thianthrenyl)acetamide IUPAC Name: N-(7-acetamido-3,8-dichlorothianthren-2-yl)acetamide; N-(8-acetamidothianthren-2-yl)acetamide Traditional Name: N-(7-acetamido-3,8-dichloro-thianthren-2-yl)acetamide; N-(8-acetamidothianthren-2-yl)acetamide Formula: C32H26Cl2N4O4S4 MolecularWeight: 729.73924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)SC3=C(S2)C=C(C=C3)NC(=O)C.CC(=O)NC1=CC2=C(C=C1Cl)SC3=C(S2)C=C(C(=C3)NC(=O)C)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)SC3=C(S2)C=C(C=C3)NC(=O)C.CC(=O)NC1=CC2=C(C=C1Cl)SC3=C(S2)C=C(C(=C3)NC(=O)C)Cl

InChI

InChI=1S/C16H12Cl2N2O2S2.C16H14N2O2S2/c1-7(21)19-11-5-15-13(3-9(11)17)24-16-6-12(20-8(2)22)10(18)4-14(16)23-15;1-9(19)17-11-3-5-13-15(7-11)22-16-8-12(18-10(2)20)4-6-14(16)21-13/h3-6H,1-2H3,(H,19,21)(H,20,22);3-8H,1-2H3,(H,17,19)(H,18,20)