1-[(Z)-[5-nitro-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(Z)-[5-nitro-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(Z)-[5-nitro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]thiourea CAS Name: 1-[(Z)-[5-nitro-2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[(Z)-[5-nitro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(Z)-[2-keto-5-nitro-1-(piperidinomethyl)indolin-3-ylidene]amino]thiourea Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NN=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CN3CCCCC3

Isomeric SMILES

C=CCNC(=S)N/N=C\1/C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CN3CCCCC3

InChI

InChI=1S/C18H22N6O3S/c1-2-8-19-18(28)21-20-16-14-11-13(24(26)27)6-7-15(14)23(17(16)25)12-22-9-4-3-5-10-22/h2,6-7,11H,1,3-5,8-10,12H2,(H2,19,21,28)/b20-16-