N-(3-azanylpropyl)-N-[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)thiochromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)thiochromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-thiochromen-2-yl)-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[7-chloro-4-oxo-3-(phenylmethyl)-1-benzothiopyran-2-yl]-2-methylpropyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxothiochromen-2-yl)-2-methylpropyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-keto-thiochromen-2-yl)-2-methyl-propyl]-4-methyl-benzamide Formula: C31H33ClN2O2S MolecularWeight: 533.12392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(S2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(S2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C31H33ClN2O2S/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3