N-[1-[2-(3-indol-1-ylpropylamino)-2-oxidanylidene-ethyl]pyrazol-4-yl]thiophene-3-carboxamide

Systemtic Name: N-[1-[2-(3-indol-1-ylpropylamino)-2-oxidanylidene-ethyl]pyrazol-4-yl]thiophene-3-carboxamide Openeye Name: N-[1-[2-(3-indol-1-ylpropylamino)-2-oxo-ethyl]pyrazol-4-yl]thiophene-3-carboxamide CAS Name: N-[1-[2-[3-(1-indolyl)propylamino]-2-oxoethyl]-4-pyrazolyl]-3-thiophenecarboxamide IUPAC Name: N-[1-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide Traditional Name: N-[1-[2-(3-indol-1-ylpropylamino)-2-keto-ethyl]pyrazol-4-yl]thiophene-3-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CCCNC(=O)CN3C=C(C=N3)NC(=O)C4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CCCNC(=O)CN3C=C(C=N3)NC(=O)C4=CSC=C4

InChI

InChI=1S/C21H21N5O2S/c27-20(22-8-3-9-25-10-6-16-4-1-2-5-19(16)25)14-26-13-18(12-23-26)24-21(28)17-7-11-29-15-17/h1-2,4-7,10-13,15H,3,8-9,14H2,(H,22,27)(H,24,28)